SCHEMBL1728407

SCHEMBL1728407

CC(C)c1cc(C(C)C)c(-c2ccc(C(C)(C)C)c(C(C)(C)C)c2P)c(C(C)C)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
FABP3 P05413 1/20 0.30
FABP4 P15090 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL2299273 0.81 ROCK2 (0.34) GABRA1GABRB2FABP3FABP4CYP1A2
SCHEMBL29382588 0.79 ROCK2 (0.35) GABRA1GABRB2FABP3FABP4CYP1A2
SCHEMBL30317598 0.74 ROCK2 (0.39) GABRA1GABRB2FABP3FABP4CYP1A2
Hydrochloric Acid SCHEMBL21331878 0.73 ROCK2 (0.38) GABRA1GABRB2FABP3FABP4CYP1A2
SCHEMBL2484888 0.71 GABRA1 (0.31) GABRA1GABRB2FABP3FABP4CYP1A2
SCHEMBL646869 0.70 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL19619459 0.69 GABRA1 (0.46) GABRA1GABRB2FABP3FABP4CYP1A2
SCHEMBL16241800 0.68 GABRA1 (0.31) GABRA1GABRB2FABP3FABP4
SCHEMBL29496244 0.67
SCHEMBL30135690 0.66 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092784-A1 CONDENSED HETEROCYCLIC COMPOUND NISSAN CHEMICAL CORPORATION (JP) 2024-03-21 US disclosed
EP-4219500-A1 CONDENSED HETEROCYCLIC COMPOUND Nissan Chemical Corporation (JP) 2023-08-02 EP disclosed
CN-116120320-A Intermediate for substituted tricyclic PRMT5 inhibitor and preparation method thereof 南京汇诚制药有限公司 2023-05-16 CN disclosed
EP-3368514-B1 TRISUBSTITUTED SILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AG (DE) 2021-08-18 EP disclosed
US-10683311-B2 Trisubstitutedsilylphenoxyheterocycles and analogues BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-16 US disclosed
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-01 US disclosed
US-9433626-B2 Pyrido[4,3-B]indole and pyrido[3,4-B]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
CN-105683196-A Aryl ether based kinase inhibitors 百时美施贵宝公司 2016-06-15 CN disclosed
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-11-26 US disclosed
US-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 US disclosed
WO-2012168162-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS FIROOZNIA FARIBORZ (US) 2012-12-06 US disclosed
WO-2012009617-A3 METHODS, STORAGE MEDIUMS, AND SYSTEMS FOR ANALYZING PARTICLE QUANTITY AND DISTRIBUTION WITHIN AN IMAGING REGION OF AN ASSAY ANALYSIS SYSTEM AND FOR EVALUATING THE PERFORMANCE OF A FOCUSING ROUTING PERFORMED ON AN ASSAY ANALYSIS SYSTEM LUMINEX CORPORATION (US) 2012-05-10 WO disclosed
EP-2271617-B1 SUBSTITUTED 4-HYDROXY-N- (4-HYDROXYPHENYL) INDOLES AS ESTROGENIC AGENTS GLAXO GROUP LTD (GB) 2011-11-30 EP disclosed
EP-2222668-B1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2011-11-02 EP disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
WO-2009050235-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 WO 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 (6 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-10683311-B2 Trisubstitutedsilylphenoxyheterocycles and analogues PIK3C3, ERG28, DDT GABRA1 2099/4885GABRB2 1580/4885FABP3 4739/4885
US-20240092784-A1 CONDENSED HETEROCYCLIC COMPOUND SPR, QDPR, SUCNR1 GABRA1 3432/4885GABRB2 3331/4885FABP3 4494/4885
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR3, S1PR2 GABRA1 751/4885GABRB2 1678/4885FABP3 1410/4885
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES PIK3C3, ERG28, DDT GABRA1 2099/4885GABRB2 1580/4885FABP3 4739/4885
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR3B, HTR4, HTR2C GABRA1 251/4885GABRB2 166/4885FABP3 3443/4885
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS ACAT2, ACAT1, CYP27A1 GABRA1 219/4885GABRB2 232/4885FABP3 955/4885

“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.