SCHEMBL3903265

SCHEMBL3903265

COc1cc2c(cc1OC)CC=C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50
BRD4 O60885 1/20 0.46
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
KDM4E B2RXH2 5/20 0.43
MAOA P21397 5/20 0.43

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
SCHEMBL2971853 0.84 HTR2A (0.47) CYP3A4MAPTTUBB4ATUBBTUBA3C
SCHEMBL2968371 0.84 HTR2A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12717984 0.81 BRD4 (0.54) CYP3A4MAPTBRD4TUBB4ATUBB
SCHEMBL6366051 0.79 MAOA (0.49) CYP3A4MAPTBRD4KDM4EMAOA
SCHEMBL3144737 0.77 CYP3A4 (0.54) CYP3A4MAPTBRD4KDM4EMAOA
SCHEMBL9442055 0.75 CA1 (0.31)
SCHEMBL3901543 0.74 TUBB4A (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1618923 0.73 CA1 (0.30)
SCHEMBL2755529 0.72 MAOA (0.42) CYP3A4MAPTBRD4KDM4EMAOA
Hydrochloric Acid SCHEMBL3898417 0.71

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107847413-A Cosmetic composition containing ginger-root extract 西姆莱斯股份公司 2018-03-27 CN claimed
US-11833156-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2023-12-05 US disclosed
WO-2022002077-A1 ARYL AROMATIC HETEROCYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发股份有限公司 2022-01-06 WO disclosed
CN-105814062-B Spiro-oxazolones 豪夫迈·罗氏有限公司 2018-04-24 CN disclosed
CN-107912022-A Cosmetic composition containing E/Z-2-benzyl indene-5, 6-dimethoxy-3, 3-dimethyl indan-1-one 西姆莱斯股份公司 2018-04-13 CN disclosed
CN-107847412-A The cosmetic composition squeezed the juice containing purple black-eyed Susan 西姆莱斯股份公司 2018-03-27 CN disclosed
CN-107847411-A Cosmetic composition containing Clary sage lactone 西姆莱斯股份公司 2018-03-27 CN disclosed
EP-1752462-B1 Siloxy substituted metallocene catalysts BOREALIS TECH OY (FI) 2009-03-18 EP disclosed
EP-1752462-B1 Siloxy substituted metallocene catalysts BOREALIS TECH OY (FI) 2009-03-18 EP disclosed
EP-1752462-A1 Siloxy substituted metallocene catalysts Borealis Technology Oy (FI) 2007-02-14 EP disclosed
EP-1752462-A1 Siloxy substituted metallocene catalysts Borealis Technology Oy (FI) 2007-02-14 EP disclosed
US-6555634-B1 Di- and tri-heteroatom substituted indenyl metal complexes THE DOW CHEMICAL COMPANY 2003-04-29 US disclosed
EP-1178997-B1 DI-AND TRI-HETEROATOM SUBSTITUTED INDENYL METAL COMPLEXES DOW GLOBAL TECHNOLOGIES INC (US) 2003-03-05 EP disclosed
EP-1178997-A1 DI-AND TRI-HETEROATOM SUBSTITUTED INDENYL METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2002-02-13 EP disclosed
WO-2000069871-A1 DI- AND TRI-HETEROATOM SUBSTITUTED INDENYL METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2000-11-23 WO disclosed
US-6087292-A Metallocene catalysts comprising indenyl ligands substituted with electronegative groups TANGOR GMBH (DE) 2000-07-11 US disclosed
US-5763542-A Process for the preparation of an olefin polymer using specific metallocenes TARGOR GMBH (DE) 1998-06-09 US disclosed
US-5504232-A Process for the preparation of an olefin polymer using specific metallocenes HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
EP-0582195-A1 Process for the preparation of polymers using specific metallocenes HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-09 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 (1 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-11833156-B2 Heterocyclic compounds as pad inhibitors PADI4, PADI2, PADI1 CYP3A4 22/4885MAPT 3841/4885BRD4 102/4885

“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.