SCHEMBL9003471

SCHEMBL9003471

CCOC(=O)/C=C/c1ccccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TTR P02766 1/20 0.48
DPP4 P27487 1/20 0.48
CYP3A4 P08684 3/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
CNKSR1 Q969H4 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
MDM2 Q00987 1/20 0.46
HTT P42858 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
SCHEMBL9003473 1.00 CA12 (0.51) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL8009106 0.98 CA12 (0.50) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL8009107 0.98 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL10783189 0.88 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL11054639 0.86 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL11212920 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL11192519 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL11216413 0.85 CA12 (0.50) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL11216415 0.85 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1897277 0.83 CA12 (0.54) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220073452-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO HEALTH, INC. 2022-03-10 US disclosed
CN-109485667-B Synthesis method of 2-aryl-tetrahydroquinoline-4-boron ester compound 常州大学 2020-10-30 CN disclosed
WO-2020033377-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-13 WO disclosed
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 EP disclosed
US-20120321533-A1 CATALYST ALMQVIST FREDRIK (SE) 2012-12-20 US disclosed
US-20120321533-A1 CATALYST ALMQVIST FREDRIK (SE) 2012-12-20 US disclosed
US-20100119424-A1 CATALYST ALMQUEST AB (SE) 2010-05-13 US disclosed
EP-1994983-A1 Catalyst containing covalently bonded formate groups and Pd(0) and process for its obtention Almquest AB (SE) 2008-11-26 EP disclosed
WO-2008138938-A2 PROCESS FOR THE PRODUCTION OF PALLADIUM SUPPORTED CATALYSTS FOR CATALYZING HECK, SUZUKI-MIYAURA SONOGASHIRA COUPLING AND BUCHWALD-HARTWIG REACTIONS NORDIC CHEMQUEST AB (SE) 2008-11-20 WO disclosed
EP-0326389-B1 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES (JP) 1996-09-11 EP disclosed
US-5140046-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-18 US disclosed
US-5116853-A SRS-Antagonist, Antiallergens MASE TOSHIYASU (JP) 1992-05-26 US disclosed
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
US-4935516-A Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1990-06-19 US disclosed
EP-0326389-A2 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1989-08-02 EP disclosed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed
US-4440940-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-04-03 US disclosed
US-3950525-A BRONCHODILATION, 4-HYDROXY-6-ARYL PYRIMIDINES PFIZER INC. (US) 1976-04-13 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 (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-20220073452-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 CA12 843/4885CA1 1009/4885CA2 1267/4885

“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.