SCHEMBL943201

SCHEMBL943201

c1ccc([C]2OCO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.48
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.39
PTGS2 P35354 1/20 0.38
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MAPK1 P28482 2/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35

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
SCHEMBL3243868 0.82 ITGB2 (0.48) ABCG2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL6944653 0.78 ALDH1A1 (0.40) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
Benzene SCHEMBL28224106 0.69 ABCG2 (0.93) ABCG2ALDH1A1PTGS2NPC1RAB9A
SCHEMBL2697682 0.67
SCHEMBL22157876 0.66 PTGS2 (0.51) ABCG2ALDH1A1KMT2APTGS2PKM
SCHEMBL8711 0.65
Biphenyl SCHEMBL1476554 0.65 ALDH1A1 (0.64) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
Biphenyl SCHEMBL1950579 0.65 ALDH1A1 (0.64) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4424499 0.65
Biphenyl SCHEMBL2548048 0.65 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210100246-A1 PYRIDYL-FORMAMIDINES HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2021-04-08 US claimed
WO-2016004028-A1 2-OXOPYRIMIDINE-5-CARBOXYLATE DERIVATIVES FOR TREATING THYROID DISEASES LATIF RAUF (US) 2016-01-07 WO claimed
US-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US claimed
EP-2257169-B1 TETRAHYDROTHIENO PYRIDINES MERCK SHARP & DOHME (US) 2013-06-05 EP claimed
US-8445680-B2 Tetrahydrothieno pyridines MERCK SHARP & DOHME CORP. (US) 2013-05-21 US claimed
EP-2257170-B1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME (US) 2012-12-26 EP claimed
CN-101117328-B Fatty acid synthetase inhibitor and application for treating bacterial infection INST PHARM & TOXICOLOGY AMMS 2012-11-07 CN claimed
WO-2011032159-A1 METHODS TO PREVENT A HAIR-RELATED SIDE EFFECT OF TREATMENT WITH A CHEMOTHERAPEUTIC AGENT META COMESTICS, LLC (US) 2011-03-17 WO claimed
CN-101951777-A Tetrahydrofuropyridones MERCK & CO INC 2011-01-19 CN claimed
US-20110009425-A1 TETRAHYDROTHIENO PYRIDINES MERCK SHARP & DOHME LLC 2011-01-13 US claimed
CN-1009093-B Process for producing ketene S, S-acetal derivative NIHON NOHYAKU CO LTD (JP) 1990-08-08 CN claimed
US-4738976-A Antimycotic agent and fungicidal agent NIHON NOHYAKU CO., LTD. (JP) 1988-04-19 US claimed
EP-0218736-A1 A ketene S,S-acetal derivative, a process for manufacturing thereof and a method for curing mycosis by administering it NIHON NOHYAKU CO., LTD. (JP) 1987-04-22 EP claimed
CN-85109322-A New ketene S, the manufacture method of S-acetal derivatives and treat mycotic method 1987-04-15 CN claimed
US-4636519-A FUNGICIDE NIHON NOHYAKU CO., LTD. (JP) 1987-01-13 US claimed
US-4598086-A ANTIDERPRESSANTS; HYPERTENSIVE AGENTS SYNTHELABO, (FR) 1986-07-01 US claimed
EP-0023559-B1 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-09-19 EP claimed
EP-0005783-B1 IMIDAZO (2.1-B)-(1.3.4)-THIADIAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1981-12-30 EP claimed
EP-0023559-A1 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 EP claimed
US-4213984-A ANTIULCER AGENTS, ANTISECRETORY AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1980-07-22 US claimed

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-20110009425-A1 TETRAHYDROTHIENO PYRIDINES HIF1AN, HIF1A, EGLN3 ABCG2 4417/4885ALDH1A1 691/4885KMT2A 333/4885
US-20210100246-A1 PYRIDYL-FORMAMIDINES HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF PFAS, PNPO, PGM2 ABCG2 655/4885ALDH1A1 1216/4885KMT2A 1474/4885

“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.