SCHEMBL96935

SCHEMBL96935

CC(O[C]=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.43
ADRA2A P08913 2/20 0.40
ADRA2C P18825 2/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MIF P14174 2/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.38
ADRA2B P18089 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
THRB P10828 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL16970628 1.00 HCAR2 (0.43) HCAR2ADRA2AADRA2CLMNAHIF1A
SCHEMBL16970750 1.00 HCAR2 (0.43) HCAR2ADRA2AADRA2CLMNAHIF1A
SCHEMBL14332190 0.88 PTGS2 (0.48) FFAR1
SCHEMBL4671825 0.80 CHRNA7 (0.37) LMNAALDH1A1KMT2AFFAR1ALOX5
SCHEMBL27868795 0.80 CHRNA7 (0.37) LMNAALDH1A1KMT2AFFAR1ALOX5
SCHEMBL7644979 0.79 ADRA2A (0.41) HCAR2ADRA2AADRA2CLMNAHIF1A
SCHEMBL5519744 0.78 THRB (0.42) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL2794041 0.78 IDO1 (0.39) LMNAKDM4EALDH1A1
SCHEMBL6141156 0.78 ADRB2 (0.45) LMNAHIF1AKDM4EALDH1A1KMT2A
SCHEMBL8486238 0.78 ADRA2A (0.38) HCAR2ADRA2AADRA2CLMNAHIF1A

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 1336 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024112705-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS ELIMA THERAPEUTICS, INC. (US) 2024-05-30 WO claimed
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP claimed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP claimed
EP-2758389-B1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-06-07 EP claimed
US-9394282-B2 Pyrazole carboxamides as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-19 US claimed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US claimed
CN-102264708-B Process for producing quinazoline derivative SHIONOGI & CO 2015-02-25 CN claimed
US-20140235641-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS INTERVET INC. 2014-08-21 US claimed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US claimed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US claimed
EP-0091794-B1 PROCESS FOR PREPARING 1.6-DISUBSTITUTED 2-AMINOBENZIMIDAZOLES ELI LILLY AND COMPANY (US) 1988-11-30 EP claimed
US-4434288-A Preparation of substituted 1-thiazinyl or 1-thiazolyl-2-aminobenzimidazoles ELI LILLY AND COMPANY (US) 1984-02-28 US claimed
EP-0091794-A1 Process for preparing 1.6-disubstituted 2-aminobenzimidazoles ELI LILLY AND COMPANY (US) 1983-10-19 EP claimed
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 EP claimed
US-4292238-A Alkylation of benzthiazole-azo-phenylamine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-09-29 US claimed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US claimed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US claimed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 US claimed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US claimed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 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-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 HCAR2 915/4885ADRA2A 3573/4885ADRA2C 3263/4885
US-20140235641-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 HCAR2 1294/4885ADRA2A 3541/4885ADRA2C 3151/4885

“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.