SCHEMBL4450814

SCHEMBL4450814

CCCCCCc1cc2c(cc1SCCCC(=O)OCC)C(=O)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
DGKA P23743 1/20 0.35
NLRP3 Q96P20 1/20 0.33
NR4A1 P22736 1/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NAMPT P43490 1/20 0.33
CNR2 P34972 2/20 0.32

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
SCHEMBL4456865 0.87 CYSLTR2 (0.42) ALDH1A1PPARACYSLTR2CYSLTR1
SCHEMBL4460421 0.81 BRD4 (0.58) BRD4ALDH1A1GAACYP4F2CYP4A11
SCHEMBL13956429 0.79 CYSLTR2 (0.39) ALDH1A1PPARAPPARGMAPTKDM4E
SCHEMBL4450812 0.78 CA2 (0.35) ALDH1A1PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL4450816 0.71 ALDH1A1 (0.37) ALDH1A1PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL2305004 0.71 TYR (0.46) ALDH1A1GAAHPGDMEN1HTT
SCHEMBL4450027 0.70 BRD4 (0.44) BRD4ALDH1A1CYP4F2CYP4A11MEN1
SCHEMBL13956633 0.69 CNR2 (0.46) BRD4ALDH1A1MEN1KMT2ACNR2
SCHEMBL4458486 0.69 HTR2A (0.48) ALDH1A1HPGDPPARAKDM4E
SCHEMBL13956434 0.69 LTB4R (0.47) BRD4CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583738-B1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2017-05-10 EP disclosed
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed
US-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2006-05-25 US disclosed
EP-1583738-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GmbH (DE) 2005-10-12 EP disclosed
WO-2004063148-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2004-07-29 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-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia NR1H3, LDLR, NR1H2 BRD4 2964/4885ALDH1A1 2283/4885GAA 3466/4885

“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.