SCHEMBL695934

SCHEMBL695934

OCc1ccc2c(c1)OCCO2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 4/20 0.57
CD274 Q9NZQ7 4/20 0.57
CYP2D6 P10635 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NOTUM Q6P988 1/20 0.46
ATM Q13315 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TSHR P16473 1/20 0.46
ALOX5 P09917 1/20 0.46

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
SCHEMBL20225729 1.00 PDCD1 (0.57) PDCD1CD274CYP2D6CYP3A4ALDH1A1
SCHEMBL12764476 0.94 MAPT (0.53) PDCD1CD274ALDH1A1USP2LMNA
SCHEMBL18101270 0.94 MAPT (0.53) PDCD1CD274ALDH1A1USP2LMNA
SCHEMBL16559901 0.94 MAPT (0.53) PDCD1CD274ALDH1A1USP2LMNA
SCHEMBL18101275 0.94 MAPT (0.53) PDCD1CD274ALDH1A1USP2LMNA
SCHEMBL14787738 0.94 MAPT (0.53) PDCD1CD274ALDH1A1USP2LMNA
SCHEMBL3083264 0.92 PDCD1 (0.50) PDCD1CD274CYP2D6CYP3A4ALDH1A1
SCHEMBL20225724 0.91 CD274 (0.54) PDCD1CD274CYP2D6CYP3A4ALDH1A1
SCHEMBL15853566 0.90 PDCD1 (0.49) PDCD1CD274CYP2D6CYP3A4ALDH1A1
SCHEMBL16472555 0.90 PDCD1 (0.49) PDCD1CD274CYP2D6CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113559904-B Application of nitrogen-carbon material anchored iron single-atom catalyst in catalyzing ammoxidation of alcohol to prepare nitrile 南京理工大学 2024-04-02 CN claimed
EP-4665718-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF Apogee Pharmaceuticals, Inc. (CA) 2025-12-24 EP disclosed
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
WO-2024168426-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF APOGEE PHARMACEUTICALS, INC. (CA) 2024-08-22 WO disclosed
CN-113559904-B Application of nitrogen-carbon material anchored iron single-atom catalyst in catalyzing ammoxidation of alcohol to prepare nitrile 南京理工大学 2024-04-02 CN disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
CN-114539231-B Glycoside derivative and preparation method and application thereof 北京盈科瑞创新药物研究有限公司 2023-11-21 CN disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-4985438-A PSYCHOTROPIC ACTIVITY, ANTIDEPRESSANTS JOHN WYETH & BROTHER, LIMITED (GB) 1991-01-15 US disclosed
US-4806552-A ANTIDEPRESSANTS JOHN WYETH & BROTHER, LIMITED (GB) 1989-02-21 US disclosed
US-4722930-A ANTIDEPRESSANTS JOHN WYETH AND BROTHER LIMITED (GB) 1988-02-02 US disclosed
US-4563466-A ANTISEROTONINE JOHN WYETH & BROTHER LIMITED (GB) 1986-01-07 US disclosed
EP-0035374-B1 PIPERIDYL - UREA, - THIOUREA AND - GUANIDINE DERIVATIVES, AND INTERMEDIATES THEREFOR, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1985-01-30 EP disclosed
US-4426387-A Piperid-4-yl ureas and thio ureas used as anti-depressant agents JOHN WYETH & BROTHER LTD. (GB) 1984-01-17 US disclosed
EP-0035374-A2 Piperidyl - urea, - thiourea and - guanidine derivatives, and intermediates therefor, processes for preparing them and pharmaceutical compositions containing the derivatives JOHN WYETH & BROTHER LIMITED (GB) 1981-09-09 EP disclosed
US-4001339-A INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1977-01-04 US disclosed
US-3946040-A JUVENILE HORMONE ACTIVITY, INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1976-03-23 US disclosed
US-3944531-A P-ALKOXY-BENZALDEHYDES, INSECTICIDE HOFFMANN-LA ROCHE INC. (US) 1976-03-16 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 (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-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PDCD1 4728/4885CD274 4726/4885CYP2D6 1127/4885
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors BACE1, BACE2, BCHE PDCD1 4430/4885CD274 3850/4885CYP2D6 738/4885

“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.