SCHEMBL3583190

SCHEMBL3583190

Brc1ccc(C2=CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.50
ACMSD Q8TDX5 2/20 0.44
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PSMB5 P28074 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP2A6 P11509 1/20 0.38
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC3 O15379 2/20 0.36
HPGD P15428 1/20 0.34
PTGS2 P35354 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33

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
SCHEMBL1773230 0.93 HTR2C (0.48) HTR2CACMSDPSMB5ALDH1A1MAPK1
SCHEMBL9343204 0.91 HTR2C (0.47) HTR2CACMSDKCNH2HRH3PSMB5
SCHEMBL1042357 0.82 HTR2C (0.56) HTR2CALDH1A1MAPK1CYP2A6HPGD
SCHEMBL10793933 0.79 ACMSD (0.53) ACMSDKCNH2HRH3PSMB5ALDH1A1
SCHEMBL968176 0.77 CHRNB4 (0.46) ACMSDPSMB5ALDH1A1HPGD
SCHEMBL6757113 0.76 ACMSD (0.53) ACMSDKCNH2HRH3ALDH1A1HDAC1
SCHEMBL6344544 0.76 ACMSD (0.49) HTR2CACMSDKCNH2HRH3ALDH1A1
SCHEMBL362370 0.76 ACMSD (0.44) ACMSDKCNH2HRH3HDAC1HDAC2
SCHEMBL2329788 0.76 ACMSD (0.44) ACMSDKCNH2HRH3PSMB5HDAC1
SCHEMBL10669275 0.76 CYP3A4 (0.46) ACMSDKCNH2HRH3ALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108191601-B Synthetic method of 4-cyclopentyl biphenyl fluorine-containing compound 山东盛华新材料科技股份有限公司 2021-04-13 CN disclosed
CN-108341774-A Substituted quinolinones inhibitor 北京赛林泰医药技术有限公司 2018-07-31 CN disclosed
US-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION 2017-10-19 US disclosed
US-9517990-B2 Negative dielectric anisotropic liquid crystal compounds containing 2,3-difluorophenyl group, and preparation method and use thereof Shijiazhuang Chenzhi Yonghua Display Materials Co., Ltd. (CN) 2016-12-13 US disclosed
US-9517990-B2 Negative dielectric anisotropic liquid crystal compounds containing 2,3-difluorophenyl group, and preparation method and use thereof Shijiazhuang Chenzhi Yonghua Display Materials Co., Ltd. (CN) 2016-12-13 US disclosed
US-9517990-B2 Negative dielectric anisotropic liquid crystal compounds containing 2,3-difluorophenyl group, and preparation method and use thereof Shijiazhuang Chenzhi Yonghua Display Materials Co., Ltd. (CN) 2016-12-13 US disclosed
US-9428693-B2 Liquid crystal composition having negative dielectric anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-08-30 US disclosed
US-9428693-B2 Liquid crystal composition having negative dielectric anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-08-30 US disclosed
US-9303208-B2 Liquid crystal compound containing cyclopentyl and difluorometheneoxy linking group, preparation method and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-04-05 US disclosed
US-9303208-B2 Liquid crystal compound containing cyclopentyl and difluorometheneoxy linking group, preparation method and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-04-05 US disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ZEON CORPORATION (JP) 2008-11-20 US disclosed
US-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ZEON CORPORATION (JP) 2008-11-20 US disclosed
US-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ZEON CORPORATION (JP) 2008-11-20 US disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
EP-1719746-A1 OPTICAL RESOLVER, PROCESS FOR PRODUCING OPTICALLY ACTIVE ISOMER, AND 1,5-SUBSTITUTED BICYCLO (3.3.0) -2-OXAOCTANE COMPOUND ZEON CORPORATION (JP) 2006-11-08 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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 (4 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP HTR2C 521/4885ACMSD 3435/4885KCNH2 2376/4885
US-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ALDH1A2, OXER1, HCRTR1 HTR2C 1114/4885ACMSD 169/4885KCNH2 1430/4885
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC HTR2C 85/4885ACMSD 4/4885KCNH2 1568/4885
US-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ACVR1, ACVR2A, ACVRL1 HTR2C 1857/4885ACMSD 2880/4885KCNH2 2694/4885

“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.