SCHEMBL3973496

SCHEMBL3973496

COc1ccc(C(=O)c2ccc(F)cc2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.79
▸ CYP2C19 P33261 3/20 0.79
▸ CYP3A4 P08684 2/20 0.79
▸ CYP2C9 P11712 1/20 0.79
▸ TSHR P16473 1/20 0.79
▸ ALDH1A1 P00352 5/20 0.72
▸ GAA P10253 1/20 0.72
▸ CA12 O43570 1/20 0.59
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ CA4 P22748 1/20 0.59
▸ CA6 P23280 1/20 0.59
▸ CA7 P43166 1/20 0.59
▸ TPMT P51580 1/20 0.59
▸ CA9 Q16790 1/20 0.59
▸ CA14 Q9ULX7 1/20 0.59
▸ SLC22A6 Q4U2R8 1/20 0.58
▸ SLC22A8 Q8TCC7 1/20 0.58
▸ ACHE P22303 5/20 0.57
▸ LMNA P02545 1/20 0.56

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
SCHEMBL9364577 0.91 CYP1A2 (0.96) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL1493250 0.89 CYP1A2 (1.00) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL11115156 0.88 HTT (0.67) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL11113724 0.88 CYP1A2 (0.59) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL7374991 0.86 SLC22A6 (0.80) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL15100715 0.86 CYP1A2 (0.58) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL1813368 0.85 ALDH1A1 (0.81) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL1333620 0.84 CYP1A2 (0.81) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL6872165 0.84 TSHR (0.81) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL4818731 0.84 ALDH1A1 (1.00) CYP1A2CYP2C19CYP3A4CYP2C9TSHR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192908-A1 BIOMASS-DERIVED PHOTOINITIATORS BOWLING GREEN STATE UNIVERSITY (US) 2023-06-22 — — US disclosed
WO-2021236563-A1 BIOMASS-DERIVED PHOTOINITIATORS BOWLING GREEN STATE UNIVERSITY (US) 2021-11-25 — — WO disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 — — US disclosed
EP-1361210-B1 Novel immunotherapeutic agents and their use in the reduction of cytokine levels CELGENE CORP (US) 2008-12-24 — — EP disclosed
US-7019030-B2 Cyano and carboxy derivatives of substituted styrenes; inhibitors of tumor necrosis factor alpha, nuclear factor kappa B, and phosphodiesterase CELGENE CORPORATION (US) 2006-03-28 — — US disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 — — EP disclosed
US-20040019106-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2004-01-29 — — US disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 — — US disclosed
EP-1361210-A2 Novel immunotherapeutic agents and their use in the reduction of cytokine levels CELGENE CORPORATION (US) 2003-11-12 — — EP disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 — — WO disclosed
US-20010056107-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2001-12-27 — — US disclosed
US-6262101-B1 ALPHA-PYRROLIDINE, IMIDAZOLE AND THIOPHENE-SUBSTITUTED STYRENE DERIVATIVES; INHIBITORS OF TUMOR NECROSIS FACTOR ALPHA, NUCLEAR FACTOR KAPPA B, AND PHOSPHODIESTERASE CELGENE CORPORATION 2001-07-17 — — US disclosed
US-6149863-A EXPOSING THE REUSABLE MEDICAL EQUIPMENTS TO STEAM AND A STEAM STERILZATION INDICATOR COMPRISING A TETRAZOLIUM SALT THAT IS REDUCED TO A FORMAZAN COMPOUND OR SALT AND THEREBY UNDERGOES A COLOR CHANGE AS A DIRECT RESULT OF EXPOSURE TO STEAM ALBERT BROWNE LIMITED (GB) 2000-11-21 — — US disclosed
US-6130226-A Immunotherapeutic agents CELGENE CORPORATION (US) 2000-10-10 — — US disclosed
US-6020332-A Fluorine-containing diphenyl acrylamide antimicrobial agents SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY (CN) 2000-02-01 — — US disclosed
US-5929117-A COMPOUNDS WHICH MEDIATE ACTION OF PHOSPHODIESTERASE AND FORMATION OF TUMOR NECROSIS FACTOR AND NUCLEAR FACTORS CELGENE CORPORATION (US) 1999-07-27 — — US disclosed
EP-0860438-A1 Fluorine-containing diphenyl acrylamide antimicrobial agents Shenyang Research Institute of Chemical Industry (CN) 1998-08-26 — — EP disclosed
EP-0219756-B1 Acrylic amides SHELL INT RESEARCH (NL) 1994-01-05 — — EP disclosed
US-4910200-A Agricultural fungicide CELAMERCK GMBH & CO. KG (DE) 1990-03-20 — — US disclosed
EP-0219756-A1 Acrylic amides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-04-29 — — EP 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 (5 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 CYP1A2 497/4885CYP2C19 850/4885CYP3A4 948/4885
US-20230192908-A1 BIOMASS-DERIVED PHOTOINITIATORS BLVRB, CYP1B1, GLB1 CYP1A2 39/4885CYP2C19 148/4885CYP3A4 30/4885
US-20040019106-A1 Novel immunotherapeutic agents NFKBIA, RELA, IKBKG CYP1A2 3471/4885CYP2C19 4166/4885CYP3A4 3495/4885
US-20010056107-A1 Novel immunotherapeutic agents NFKBIA, RELA, IKBKG CYP1A2 3471/4885CYP2C19 4166/4885CYP3A4 3495/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 CYP1A2 497/4885CYP2C19 850/4885CYP3A4 948/4885

“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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