SCHEMBL477415

SCHEMBL477415

O[C@@H](c1ccccc1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
DHODH Q02127 1/20 0.53
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTR1E P28566 1/20 0.46
S1PR3 Q99500 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 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
SCHEMBL1430742 1.00 IDO1 (0.53) IDO1DHODHKDM4ECYP1A2CYP2D6
SCHEMBL16995185 1.00 IDO1 (0.53) IDO1DHODHKDM4ECYP1A2CYP2D6
SCHEMBL477416 1.00 IDO1 (0.53) IDO1DHODHKDM4ECYP1A2CYP2D6
SCHEMBL8705439 0.98 KDM4E (0.53) IDO1DHODHKDM4ECYP1A2CYP2D6
SCHEMBL3310267 0.93 CYP1A2 (0.53) IDO1DHODHKDM4ECYP1A2CYP2D6
SCHEMBL477699 0.89 CYP1A2 (0.56) IDO1KDM4ECYP1A2CYP2D6CYP3A4
SCHEMBL19645377 0.89 CYP1A2 (0.56) IDO1KDM4ECYP1A2CYP2D6CYP3A4
SCHEMBL23652176 0.81 HRH3 (0.45) IDO1DHODHKDM4ECYP1A2CYP2D6
SCHEMBL8036930 0.81 DHODH (0.56) DHODHKDM4ETSHRKMT2AHRH3
SCHEMBL10021103 0.79 DHODH (0.58) IDO1DHODHCYP1A2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466949-A1 TRICYCLIC COMPOUND AS ANTICANCER AGENTS Bristol-Myers Squibb Company (US) 2019-04-10 EP disclosed
US-10112941-B2 Tricyclic compounds as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-30 US disclosed
EP-3087071-B1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 EP disclosed
US-20170327498-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2017-11-16 US disclosed
US-9751879-B2 Tricyclic compounds as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-05 US disclosed
CN-106397117-A Reduction alcoholization and resolution method of cyclohexyl phenyl ketone 安徽爱有澄生物科技有限公司 2017-02-15 CN disclosed
US-20160326173-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-20160318928-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2016-11-03 US disclosed
EP-3087071-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS Bristol-Myers Squibb Company (US) 2016-11-02 EP disclosed
US-9458156-B2 Tricyclic compounds as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20160176864-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 US disclosed
WO-2015100282-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-02 WO disclosed
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 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 (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-20160318928-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TP53, TK2, TOP2A IDO1 1728/4885DHODH 378/4885KDM4E 1945/4885
US-20160326173-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TP53, TK2, MCL1 IDO1 2249/4885DHODH 523/4885KDM4E 2234/4885
US-20160176864-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TP53, TK2, MCL1 IDO1 2249/4885DHODH 523/4885KDM4E 2234/4885
US-10112941-B2 Tricyclic compounds as anticancer agents TP53, TK2, TOP2A IDO1 1423/4885DHODH 398/4885KDM4E 2036/4885
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT IDO1 4327/4885DHODH 871/4885KDM4E 2522/4885
US-20170327498-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TP53, TK2, MCL1 IDO1 2249/4885DHODH 523/4885KDM4E 2234/4885

“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.