SCHEMBL4513586

SCHEMBL4513586

[c]1cccc2c1CC=CC2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12520862 0.83 — —
SCHEMBL12520890 0.83 TSHR (0.31) TSHR
SCHEMBL379011 0.81 — —
SCHEMBL5420509 0.72 — —
SCHEMBL24682 0.71 — —
SCHEMBL8890 0.71 TSHR (0.48) TSHR
SCHEMBL18706436 0.71 — —
SCHEMBL15282348 0.71 — —
SCHEMBL34907 0.70 — —
SCHEMBL4847096 0.70 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 69 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289560-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-10-06 — — US claimed
EP-3070520-A1 LIQUID-CRYSTAL DISPLAY ELEMENT DIC Corporation (JP) 2016-09-21 — — EP claimed
WO-2001007028-A2 THE USE OF RETINOID RECEPTOR ANTAGONISTS IN THE TREATMENT OF PROSTATE CARCINOMA ALLERGAN SALES, INC. (US) 2001-02-01 — — WO claimed
EP-0219505-B1 STEREOSELECTIVE PROCESS AND CHIRAL INTERMEDIATES FOR ARYLOXYDROPANOLAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-01 — — EP claimed
US-4711887-A HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-08 — — US claimed
CN-86102227-A The preparation method of 1-alkylamino-2-propyl alcohol that arylolycidyl ethers and 3-replace — 1987-02-04 — — CN claimed
EP-0193227-A1 Process for the preparation of arylglycidyl ethers and 3-substituted 1-alkylamino-2-propanols GIST-BROCADES N.V. (NL) 1986-09-03 — — EP claimed
EP-0092945-A2 Nitrogeneous compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-11-02 — — EP claimed
US-4387099-A Alkanolamine derivatives IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-06-07 — — US claimed
US-4327113-A DRUGS FOR TREATMENT OF HEART DISEASES, ADRENERGIC BLOCKING AGENTS, ETC IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-27 — — US claimed
US-4265911-A Propionamidoxime derivatives SYNTHELABO (FR) 1981-05-05 — — US claimed
US-4260632-A ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-04-07 — — US claimed
US-4221807-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-09-09 — — US claimed
US-4200652-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-04-29 — — US claimed
US-4182911-A BETA-ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-01-08 — — US claimed
US-4171374-A 1-ARYLOXY-3-SUBSTITUTED UREIDO-ALKYLAMINO-2-PROPANOLS, ADRENERGIC BLOCKING AGENTS, CARDIAC STIMULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-10-16 — — US claimed
US-4167581-A 1-ARYLOXY-3-(ACYLAMINO)ALKYLAMINO-2-PROPANOL ADRENERGIC BLOCKING, AGENTS AND CARDIAC STIMULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 — — US claimed
US-4141987-A HYPOTENSIVE, ADRENERGIC BLOCKING AGENT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-02-27 — — US claimed
US-4115409-A CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-19 — — US claimed
US-9637466-B2 Liquid crystal compound having 2, 6-difluorophenyl ether structure and liquid crystal composition thereof DIC CORPORATION (JP) 2017-05-02 — — US disclosed
US-9573923-B2 Liquid crystal compound having 2, 6-difluorophenylether structure, and liquid crystal composition containing the same DIC CORPORATION (JP) 2017-02-21 — — US disclosed
US-20160289560-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-10-06 — — US disclosed
EP-3070520-A1 LIQUID-CRYSTAL DISPLAY ELEMENT DIC Corporation (JP) 2016-09-21 — — EP disclosed
US-20160159765-A1 LIQUID CRYSTAL COMPOUND HAVING 2, 6-DIFLUOROPHENYLETHER STRUCTURE, AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DIC CORPORATION (JP) 2016-06-09 — — US disclosed
US-20160152589-A1 LIQUID CRYSTAL COMPOUND HAVING 2, 6-DIFLUOROPHENYL ETHER STRUCTURE AND LIQUID CRYSTAL COMPOSITION THEREOF DIC CORPORATION (JP) 2016-06-02 — — US disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 — — US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 — — EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 — — WO disclosed
EP-1273582-B1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents PFIZER PROD INC (US) 2005-06-29 — — EP disclosed
EP-1273580-B1 Sulfonyl heteroaryl triazoles as anti-inflammatory and analgesic agents PFIZER PROD INC (US) 2005-06-15 — — EP disclosed
US-6900230-B2 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents PFIZER INC. (US) 2005-05-31 — — US disclosed
US-6875779-B2 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents PFIZER INC. (US) 2005-04-05 — — US disclosed
EP-1233959-B1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PROD INC (US) 2005-03-16 — — EP disclosed
US-20040198735-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2004-10-07 — — US disclosed
US-6753332-B2 CYCLOOXYGENASE INHIBITORS PFIZER, INC. 2004-06-22 — — US disclosed
US-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-12-25 — — US disclosed
US-20030125368-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2003-07-03 — — US disclosed
US-20030119835-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents PFIZER PRODUCTS, INC. 2003-06-26 — — US disclosed
US-20030119836-A1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2003-06-26 — — US disclosed
US-6531492-B1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-03-11 — — US disclosed
EP-1273582-A1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2003-01-08 — — EP disclosed
EP-1273580-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory and analgesic agents Pfizer Products Inc. (US) 2003-01-08 — — EP disclosed
EP-1273576-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2003-01-08 — — EP disclosed
EP-1233959-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS Pfizer Products Inc. (US) 2002-08-28 — — EP disclosed
WO-2001040216-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 — — WO disclosed
EP-0740649-A1 NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE Byk Nederland BV (NL) 1996-11-06 — — EP disclosed
WO-1995019952-A1 NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1995-07-27 — — WO disclosed
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 — — US disclosed
EP-0219505-B1 STEREOSELECTIVE PROCESS AND CHIRAL INTERMEDIATES FOR ARYLOXYDROPANOLAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-01 — — EP disclosed
US-4711887-A HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-08 — — US disclosed
US-4711887-A HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-08 — — US disclosed
EP-0219505-A1 STEREOSELECTIVE PROCESS AND CHIRAL INTERMEDIATES FOR ARYLOXYDROPANOLAMINES. SMITH KLINE FRENCH LAB (GB) 1987-04-29 — — EP disclosed
CN-86102227-A The preparation method of 1-alkylamino-2-propyl alcohol that arylolycidyl ethers and 3-replace — 1987-02-04 — — CN disclosed
WO-1986006368-A1 STEREOSELECTIVE PROCESS AND CHIRAL INTERMEDIATES FOR ARYLOXYDROPANOLAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-11-06 — — WO disclosed
EP-0193227-A1 Process for the preparation of arylglycidyl ethers and 3-substituted 1-alkylamino-2-propanols GIST-BROCADES N.V. (NL) 1986-09-03 — — EP disclosed
EP-0092945-A3 NITROGENEOUS COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-23 — — EP disclosed
EP-0092945-A2 Nitrogeneous compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-11-02 — — EP disclosed
EP-0092945-A2 Nitrogeneous compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-11-02 — — EP disclosed
US-4387099-A Alkanolamine derivatives IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-06-07 — — US disclosed
US-4327113-A DRUGS FOR TREATMENT OF HEART DISEASES, ADRENERGIC BLOCKING AGENTS, ETC IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-27 — — US disclosed
US-4260632-A ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-04-07 — — US disclosed
US-4221807-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-09-09 — — US disclosed
US-4200652-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-04-29 — — US disclosed
US-4182911-A BETA-ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-01-08 — — US disclosed
US-4171374-A 1-ARYLOXY-3-SUBSTITUTED UREIDO-ALKYLAMINO-2-PROPANOLS, ADRENERGIC BLOCKING AGENTS, CARDIAC STIMULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-10-16 — — US disclosed
US-4167581-A 1-ARYLOXY-3-(ACYLAMINO)ALKYLAMINO-2-PROPANOL ADRENERGIC BLOCKING, AGENTS AND CARDIAC STIMULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 — — US disclosed
US-4141987-A HYPOTENSIVE, ADRENERGIC BLOCKING AGENT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-02-27 — — US disclosed
US-4131685-A ADRENERGIC BLOCKING AGENT, CARDIAC STIMULANT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-12-26 — — US disclosed
US-4115409-A CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-19 — — US disclosed
US-4115409-A CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030125368-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents SULT2A1, AHR, SULT1A1 TSHR 1196/4885
US-20160152589-A1 LIQUID CRYSTAL COMPOUND HAVING 2, 6-DIFLUOROPHENYL ETHER STRUCTURE AND LIQUID CRYSTAL COMPOSITION THEREOF FGFR1, FGF1, FGFR2 TSHR 3579/4885
US-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 TSHR 1584/4885
US-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PTGS1, SULT2A1, PTGES3 TSHR 3246/4885
US-20040198735-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SULT2A1, SULT1A1, SULT1E1 TSHR 1519/4885
US-20030119836-A1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents PTGS1, SULT2A1, AHR TSHR 3392/4885
US-20030119835-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SULT2A1, SULT1A1, SULT1E1 TSHR 1519/4885
US-20160159765-A1 LIQUID CRYSTAL COMPOUND HAVING 2, 6-DIFLUOROPHENYLETHER STRUCTURE, AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME FGFR2, FGFR1, FGF2 TSHR 2577/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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