SCHEMBL1125535

SCHEMBL1125535

OCC1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
TBXAS1 P24557 1/20 0.49
IDO1 P14902 2/20 0.49
ALDH1A1 P00352 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
BLM P54132 1/20 0.45
TSHR P16473 1/20 0.45
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
PDPK1 O15530 1/20 0.45

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
SCHEMBL31522110 1.00 CYP19A1 (0.49) CYP19A1TBXAS1IDO1ALDH1A1SIGMAR1
SCHEMBL15320085 0.94 HTR6 (0.46) CYP19A1TBXAS1IDO1SIGMAR1
SCHEMBL1125363 0.88 HTR6 (0.54) IDO1PDPK1
SCHEMBL29511517 0.88 HTR6 (0.54) IDO1PDPK1
SCHEMBL14015841 0.88 HTR6 (0.54) IDO1PDPK1
SCHEMBL5477158 0.87 CYP19A1 (0.55) CYP19A1TBXAS1IDO1SIGMAR1
SCHEMBL7898127 0.84 IDO1 (0.52) CYP19A1TBXAS1IDO1SIGMAR1
SCHEMBL80413 0.84 SIGMAR1 (0.56) CYP19A1TBXAS1SIGMAR1
SCHEMBL12507093 0.81 CYP19A1 (0.49) CYP19A1TBXAS1IDO1SIGMAR1PDPK1
SCHEMBL1566770 0.81 CYP19A1 (0.49) CYP19A1TBXAS1IDO1ALDH1A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5073654-A Catalyzing in presence of zeolite type beta UOP (US) 1991-12-17 US claimed
CN-110382574-A Heterophasic propylene polymeric material and Propenes resin composition 住友化学株式会社 2019-10-25 CN disclosed
CN-110098408-A The manufacturing method of electrode composition, battery and electrode 松下知识产权经营株式会社 2019-08-06 CN disclosed
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 US disclosed
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 US disclosed
US-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-11-08 US disclosed
EP-2562156-B1 COLCHICINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAID DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING SAID DERIVATIVES ASAN FOUND (KR) 2018-11-07 EP disclosed
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MEYERS SQUIBB COMPANY (US) 2018-08-30 US disclosed
CN-105073958-B The manufacturing method of extract residue 株式会社神户制钢所 2018-08-24 CN disclosed
CN-108350363-A Can photo-alignment material composition 罗利克技术有限公司 2018-07-31 CN disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2004-12-02 US disclosed
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2003-05-15 US disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 US disclosed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 WO disclosed
EP-0281283-B1 HETEROCYCLIC COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-10 EP disclosed
US-5073654-A Catalyzing in presence of zeolite type beta UOP (US) 1991-12-17 US disclosed
US-4910212-A Containing 1,2,4-triazole or imidazole ring IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-20 US disclosed
EP-0281283-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-07 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-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C CYP19A1 648/4885TBXAS1 1152/4885IDO1 262/4885
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A CYP19A1 198/4885TBXAS1 903/4885IDO1 428/4885
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 CYP19A1 1396/4885TBXAS1 172/4885IDO1 208/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A CYP19A1 190/4885TBXAS1 933/4885IDO1 384/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 CYP19A1 1396/4885TBXAS1 172/4885IDO1 208/4885

“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.