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.