SCHEMBL6773228

SCHEMBL6773228

Cc1ccc(-c2ccccc2)cc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
DCLRE1A Q6PJP8 1/20 0.43
DCLRE1B Q9H816 1/20 0.43
BACE1 P56817 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
ALOX5 P09917 1/20 0.42
ESR2 Q92731 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7330961 0.86 HPGD (0.44) HPGDBACE1KDM4ESMN1; SMN2HSD17B1
SCHEMBL5263743 0.84 PDCD1 (0.48) PDCD1CD274CYP1A2PTGS1DCLRE1A
SCHEMBL2139060 0.84 HPGD (0.42) HPGDPDCD1CD274CYP1A2PTGS1
SCHEMBL7336718 0.82 HPGD (0.42) HPGDPTGS1KDM4EHSD17B1TNKS2
SCHEMBL7673877 0.82 ALOX5 (0.44) HPGDCYP1A2ALOX5ESR2HSD17B1
SCHEMBL2810201 0.81 GSTP1 (0.54) CYP1A2PTGS1MAPTGAASMN1; SMN2
SCHEMBL3148557 0.81 DCLRE1A (0.47) HPGDPDCD1CD274CYP1A2PTGS1
SCHEMBL27671603 0.80 GAA (0.42) HPGDPDCD1CD274CYP1A2PTGS1
SCHEMBL3784027 0.80 TAAR1 (0.48) HPGDCYP1A2PTGS1DCLRE1ADCLRE1B
SCHEMBL6772346 0.80 GAA (0.42) HPGDCYP1A2PTGS1DCLRE1ADCLRE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 WO disclosed
CN-101932325-B Ido inhibitors NEWLINK GENETICS 2014-05-28 CN disclosed
US-20040167193-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-26 US disclosed
US-6762197-B2 FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-26 US disclosed
US-6489487-B1 AGRICULTURAL OR HORTICULTURAL FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-03 US disclosed
EP-1238975-A1 DIFLUOROMETHYLTRIAZOLONE COMPOUNDS, USE OF THE SAME AND INTERMEDIATES FOR THE PRODUCTION THEREOF Sumitomo Chemical Company, Limited (JP) 2002-09-11 EP disclosed
EP-1103548-A1 TRIAZOLONE DERIVATIVES, USE THEREOF, AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-05-30 EP disclosed
US-5545645-A Heterocyclic derivatives in the treatment of ischaemia and related diseases SYNTEX PHARMACEUTICALS, LIMITED (GB) 1996-08-13 US disclosed
CN-1120838-A Heterocyclic derivatives in the treatment of ischaemia and related diseases SYNTEX PHARMA LTD (GB) 1996-04-17 CN disclosed
EP-0693062-A1 HETEROCYCLIC DERIVATIVES IN THE TREATMENT OF ISCHAEMIA AND RELATED DISEASES SYNTEX PHARMACEUTICALS LTD. (GB) 1996-01-24 EP disclosed
US-5428037-A Piperazine derivatives; calcium and sodium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1995-06-27 US disclosed
WO-1994024116-A1 HETEROCYCLIC DERIVATIVES IN THE TREATMENT OF ISCHAEMIA AND RELATED DISEASES SYNTEX PHARMACEUTICALS LIMITED (GB) 1994-10-27 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 (2 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-20040167193-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 HPGD 4076/4885PDCD1 2097/4885CD274 2180/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 HPGD 4076/4885PDCD1 2097/4885CD274 2180/4885

“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.