SCHEMBL2770484

SCHEMBL2770484

COc1cccc(C=CCCl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.61
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
CHRM3 P20309 1/20 0.59
NFE2L2 Q16236 4/20 0.57
CYP19A1 P11511 1/20 0.56
NQO2 P16083 1/20 0.56
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54

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
SCHEMBL2770481 1.00 RELA (0.61) RELACHRM2CHRM1CHRM3NFE2L2
SCHEMBL30022662 0.87 NFE2L2 (0.68) RELACHRM2CHRM1CHRM3NFE2L2
SCHEMBL14604959 0.84 RELA (0.62) RELACHRM2CHRM1CHRM3NFE2L2
SCHEMBL23158820 0.82 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL700055 0.82 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL31317665 0.82 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL700056 0.82 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL6159258 0.82 RELA (0.61) RELACHRM2CHRM1CHRM3NFE2L2
SCHEMBL9487834 0.82 RELA (0.61) RELACHRM2CHRM1CHRM3NFE2L2
SCHEMBL4078838 0.82 RELA (0.61) RELACHRM2CHRM1CHRM3NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118697737-A Application of piperlonguminine analogue compound in preparation of medicines for treating cervical cancer and/or liver cancer 赣南医学院第一附属医院 2024-09-27 CN disclosed
CN-108884083-B Benzo [ B ] furans as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2022-02-25 CN disclosed
US-10583112-B2 Benzo[b]furans as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2020-03-10 US disclosed
EP-3440075-B1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-01-29 EP disclosed
US-20190151279-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-05-23 US disclosed
EP-3440075-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property (No. 2) Limited (GB) 2019-02-13 EP disclosed
WO-2017174620-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-10-12 WO disclosed
CN-103339116-B Substituted n-valeramide compound, preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-04-06 CN disclosed
CN-104529973-A Synthetic method for polysubstituted baicalein derivatives UNIV JIANGNAN 2015-04-22 CN disclosed
CN-103288752-A Cinnamic amide derivatives, their preparation methods and their application in preparation of bleeding stopping and stasis dissolving medicines UNIV GUANGXI 2013-09-11 CN disclosed
EP-1967509-B1 METHOD FOR PRODUCING PRIMARY AMINE COMPOUND SUMITOMO CHEMICAL CO (JP) 2010-04-14 EP disclosed
US-7652170-B2 Method for producing primary amine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-26 US disclosed
US-20090287023-A1 METHOD FOR PRODUCING PRIMARY AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-19 US disclosed
EP-1967509-A1 METHOD FOR PRODUCING PRIMARY AMINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-09-10 EP disclosed
EP-0347766-B1 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments THOMAE GMBH DR K (DE) 1994-05-25 EP disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP disclosed
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed
EP-0076996-B1 CARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1986-01-02 EP disclosed
US-4115398-A CARDIOVASCULAR DISORDERS KOWA COMPANY LTD. (JP) 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 (3 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-10583112-B2 Benzo[b]furans as bromodomain inhibitors BRD4, BRD3, BRD2 RELA 168/4885CHRM2 3222/4885CHRM1 2976/4885
US-20190151279-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 RELA 168/4885CHRM2 3222/4885CHRM1 2976/4885
US-20090287023-A1 METHOD FOR PRODUCING PRIMARY AMINE COMPOUND HRH3, HRH4, C5 RELA 2757/4885CHRM2 16/4885CHRM1 6/4885

“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.