SCHEMBL2047161

SCHEMBL2047161

Oc1cc2cccc3ccc4cccc1c4c32

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.57
ERBB2 P04626 1/20 0.57
FYN P06241 1/20 0.57
MAOA P21397 1/20 0.57
ACHE P22303 1/20 0.57
AHR P35869 1/20 0.57
ALDH1A1 P00352 5/20 0.52
HPGD P15428 5/20 0.52
HSD17B10 Q99714 5/20 0.52
THRB P10828 3/20 0.52
TRPM4 Q8TD43 1/20 0.52
TSHR P16473 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
DNMT1 P26358 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 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
SCHEMBL29589319 1.00 CYP1A2 (0.57) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL22170103 0.91 CYP1A2 (0.53) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL9642452 0.89 CYP1A2 (0.47) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28185455 0.87 CYP1A2 (0.48) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL8041872 0.86 CYP1A2 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28325892 0.86 CYP1A2 (0.58) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL22170093 0.84 HSD17B10 (0.54) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29440260 0.84 ALDH1A1 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13736031 0.84 ALDH1A1 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25233982 0.83 CYP1A2 (0.53) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191114-A1 Assay for and uses of peptide hormone receptor agonists KOPIN ALAN S (US) 2003-10-09 US claimed
EP-0652871-B1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME (GB) 2001-10-17 EP claimed
US-5696110-A ANTIULCER AGENTS MERCK, SHARP & DOHME, LTD. (GB) 1997-12-09 US claimed
EP-0609306-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1994-08-10 EP claimed
WO-1993008176-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1993-04-29 WO claimed
EP-0539170-A1 Benzodiazepine derivatives and their use as antagonists of cholecystokinin and/or gastrin receptors MERCK SHARP & DOHME LTD. (GB) 1993-04-28 EP claimed
US-20250280650-A1 LIGHT EMITTING ELEMENT, FUSED POLYCYCLIC COMPOUND FOR THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2025-09-04 US disclosed
US-20240030030-A1 METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE AND COMPOSITION JSR CORPORATION (JP) 2024-01-25 US disclosed
US-20240030030-A1 METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE AND COMPOSITION JSR CORPORATION (JP) 2024-01-25 US disclosed
US-20240021429-A1 METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE AND COMPOSITION JSR CORPORATION (JP) 2024-01-18 US disclosed
US-20240021429-A1 METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE AND COMPOSITION JSR CORPORATION (JP) 2024-01-18 US disclosed
US-20230296982-A1 POLYMER, COMPOSITION, METHOD FOR PRODUCING POLYMER, COMPOSITION, COMPOSITION FOR FILM FORMATION, RESIST COMPOSITION, RADIATION-SENSITIVE COMPOSITION, COMPOSITION FOR UNDERLAYER FILM FORMATION FOR LITHOGRAPHY, RESIST PATTERN FORMATION METHOD, METHOD FOR PRODUCING UNDERLAYER FILM FOR LITHOGRAPHY, CIRCUIT PATTERN FORMATION METHOD, AND COMPOSITION FOR OPTICAL MEMBER FORMATION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-09-21 US disclosed
US-20230296982-A1 POLYMER, COMPOSITION, METHOD FOR PRODUCING POLYMER, COMPOSITION, COMPOSITION FOR FILM FORMATION, RESIST COMPOSITION, RADIATION-SENSITIVE COMPOSITION, COMPOSITION FOR UNDERLAYER FILM FORMATION FOR LITHOGRAPHY, RESIST PATTERN FORMATION METHOD, METHOD FOR PRODUCING UNDERLAYER FILM FOR LITHOGRAPHY, CIRCUIT PATTERN FORMATION METHOD, AND COMPOSITION FOR OPTICAL MEMBER FORMATION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-09-21 US disclosed
EP-0609306-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1994-08-10 EP disclosed
CN-1090279-A Be used for the treatment of HIV and other retroviral pyran-2-ones and 5,6-dihydropyrane-2-ketone UPJOHN CO (US) 1994-08-03 CN disclosed
WO-1993008176-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1993-04-29 WO disclosed
EP-0539170-A1 Benzodiazepine derivatives and their use as antagonists of cholecystokinin and/or gastrin receptors MERCK SHARP & DOHME LTD. (GB) 1993-04-28 EP disclosed
EP-0365539-A4 HUMAN LEUCOCYTE ELASTASE INHIBITOR COMPOUNDS 1990-12-05 EP disclosed
EP-0365539-A1 HUMAN LEUCOCYTE ELASTASE INHIBITOR COMPOUNDS AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1990-05-02 EP disclosed
WO-1988010258-A1 HUMAN LEUCOCYTE ELASTASE INHIBITOR COMPOUNDS LA TROBE UNIVERSITY (AU) 1988-12-29 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 (1 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-20030191114-A1 Assay for and uses of peptide hormone receptor agonists SCTR, TRHR, GHRHR CYP1A2 4796/4885ERBB2 293/4885FYN 4155/4885

“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.