SCHEMBL1114906

SCHEMBL1114906

CCCCCCCCCCC(C)(C)C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
FDPS P14324 10/20 0.45
SMPD1 P17405 2/20 0.45
CES2 O00748 1/20 0.45
GGPS1 O95749 6/20 0.43

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
SCHEMBL8648600 1.00 ALDH1A1 (0.48) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL1410547 1.00 ALDH1A1 (0.48) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL3267268 1.00 ALDH1A1 (0.48) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL25303536 1.00 ALDH1A1 (0.48) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL10830500 1.00 ALDH1A1 (0.48) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL25078902 1.00 ALDH1A1 (0.48) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL6496847 1.00 ALDH1A1 (0.48) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL1410499 0.98 ALDH1A1 (0.44) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL1410419 0.91 ALDH1A1 (0.44) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL11286145 0.84 ACLY (0.42) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL SA (ES) 2021-07-22 US disclosed
CN-111886230-A Pyrrole derivatives as ACC inhibitors 阿尔米雷尔有限公司 2020-11-03 CN disclosed
EP-3724182-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS Almirall S.A. (ES) 2020-10-21 EP disclosed
WO-2019115405-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2019-06-20 WO disclosed
US-20140336227-A1 3-AMINO LACTAMS AS ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2014-11-13 US disclosed
EP-1896012-B1 Anti-inflammatory agents CAMBRIDGE ENTPR LTD (GB) 2014-09-24 EP disclosed
CN-103830230-A Anti-inflammatory agents CAMBRIDGE ENTPR LTD 2014-06-04 CN disclosed
CN-101227901-B Anti-inflammatory agents CAMBRIDGE ENTPR LTD 2014-03-05 CN disclosed
CN-103393691-A Anti-inflammatory agents UNIV CAMBRIDGE TECH 2013-11-20 CN disclosed
EP-1691814-B9 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2013-02-20 EP disclosed
US-20030069204-A1 Strain of streptomyces SANKYO COMPANY LIMITED (JP) 2003-04-10 US disclosed
US-6472384-B1 Antimicrobial compounds SANKYO COMPANY, LIMITED (JP) 2002-10-29 US disclosed
EP-1095947-A1 NOVEL ANTIBACTERIAL COMPOUNDS Sankyo Company Limited (JP) 2001-05-02 EP disclosed
EP-0546177-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1998-01-07 EP disclosed
US-5574061-A ANTILIPEMIC AGENT, ANTIATHEROSCLEROSIS, ACAT INHIBITOR TEIJIN LIMITED (JP) 1996-11-12 US disclosed
EP-0546177-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1993-06-16 EP disclosed
EP-0297610-B1 N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase WARNER-LAMBERT COMPANY (US) 1991-03-13 EP disclosed
US-4961867-A Process for preventing corrosion of metals by contacting them with compositions prepared from amino substituted pyrazines and carboxylic acids carboxylic acid anhydrides, carboxylic acid, esters or carboxylic acid halides THE DOW CHEMICAL COMPANY (US) 1990-10-09 US disclosed
US-4861884-A OIL WELL CORROSION INHIBITOR THE DOW CHEMICAL COMPANY (US) 1989-08-29 US disclosed
EP-0297610-A1 N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase WARNER-LAMBERT COMPANY (US) 1989-01-04 EP 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 (3 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-20140336227-A1 3-AMINO LACTAMS AS ANTI-INFLAMMATORY AGENTS IL1B, NFKBIA, IL1A ALDH1A1 3956/4885TSHR 4364/4885FDPS 2561/4885
US-20030069204-A1 Strain of streptomyces O60361, CYP8B1, MRPS34 ALDH1A1 858/4885TSHR 3757/4885FDPS 415/4885
US-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ACACA, ACACB, PCCA ALDH1A1 129/4885TSHR 4181/4885FDPS 136/4885

“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.