SCHEMBL806517

SCHEMBL806517

COc1ccc2cc(C)ccc2c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 1/20 0.48
CYP1A2 P05177 3/20 0.46
CYP2A6 P11509 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
NQO1 P15559 1/20 0.41
KDM2B Q8NHM5 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL12657996 0.86 ACHE (0.56) ACHEALDH1A1CYP3A4CYP1A2CYP2A6
SCHEMBL29350013 0.84 MAPT (0.57) ACHEALDH1A1CYP3A4CYP1A2CYP2A6
SCHEMBL13772010 0.84 MAPT (0.57) ACHEALDH1A1CYP3A4CYP1A2CYP2A6
SCHEMBL30503987 0.82 CA12 (0.52) ALDH1A1CYP3A4CYP1A2CYP2A6NQO1
SCHEMBL4194130 0.82 CA12 (0.52) ALDH1A1CYP3A4CYP1A2CYP2A6NQO1
SCHEMBL15280140 0.82 ACHE (0.47) ACHEALDH1A1CYP3A4CYP1A2CYP2A6
SCHEMBL8078744 0.81 ESR1 (0.49) GAAMAOBKDM2BTDP1MEN1
SCHEMBL14279013 0.81 CYP19A1 (0.52) ACHEALDH1A1CYP3A4CYP1A2CYP2A6
SCHEMBL806512 0.81 CYP19A1 (0.52) ACHEALDH1A1CYP3A4CYP1A2CYP2A6
SCHEMBL13199297 0.81 ACHE (0.50) ACHEALDH1A1CYP3A4CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
WO-2016112284-A1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2016-07-14 WO disclosed
EP-2616460-B1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMA CO LTD (JP) 2015-10-28 EP disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD (JP) 2013-10-03 US disclosed
WO-2013137479-A1 DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-09-19 WO disclosed
WO-2012036253-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-22 WO disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed
US-7915324-B2 Curable di- or polyunsaturated carbosilane containing silicon-aryl bondand no silicon-oxygen bonds; initiator, filler, dyes, pigments, thixotropic agents, flow control agents, polymeric thickeners, surfactants, odorous substances, diluting agent(s) and flavors; crowns, bridges 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-7799846-B2 Dental composition containing an epoxy functional carbosilane compound 3M ESPE AG (DE) 2010-09-21 US disclosed
US-7662869-B2 Curable di- or polyunsaturated carbosilane containing silicon-aryl bondand no silicon-oxygen bonds; initiator, filler, dyes, pigments, thixotropic agents, flow control agents, polymeric thickeners, surfactants, odorous substances, diluting agent(s) and flavors; crowns, bridges 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-02-16 US disclosed
US-20080070193-A1 Dental Composition Containing Unsaturated Carbosilane Containing Components 3M DEUTSCHLAND GMBH (DE) 2008-03-20 US disclosed
US-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound 3M DEUTSCHLAND GMBH (DE) 2008-02-07 US disclosed
US-20070207443-A1 Dental composition containing unsaturated carbosilane containing components 3M INNOVATIVE PROPERTIES COMPANY 2007-09-06 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 (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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C ACHE 450/4885ALDH1A1 1739/4885CYP3A4 1384/4885
US-20070207443-A1 Dental composition containing unsaturated carbosilane containing components TAS1R1, TAS2R41, TAS2R39 ACHE 3153/4885ALDH1A1 1136/4885CYP3A4 3027/4885
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH ACHE 309/4885ALDH1A1 2027/4885CYP3A4 1361/4885
US-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound EPX, TAS2R41, TAS1R1 ACHE 2587/4885ALDH1A1 1405/4885CYP3A4 2522/4885
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 ACHE 4054/4885ALDH1A1 181/4885CYP3A4 2766/4885

“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.