SCHEMBL4456865

SCHEMBL4456865

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.42
CYSLTR1 Q9Y271 8/20 0.42
SCD O00767 1/20 0.40
F13A1 P00488 3/20 0.39
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LTB4R Q15722 5/20 0.36
LTB4R2 Q9NPC1 5/20 0.36
OXER1 Q8TDS5 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
SCHEMBL13956429 0.87 CYSLTR2 (0.39) CYSLTR2CYSLTR1SCDPPARAALDH1A1
SCHEMBL4450812 0.83 CA2 (0.35) CYSLTR2CYSLTR1PPARAALDH1A1LMNA
SCHEMBL4450816 0.81 ALDH1A1 (0.37) CYSLTR2CYSLTR1SCDF13A1PPARA
SCHEMBL4453277 0.79 LTB4R (0.47) LTB4RLTB4R2
SCHEMBL13956434 0.79 LTB4R (0.47) LTB4RLTB4R2
SCHEMBL4445395 0.78 SCD (0.40) CYSLTR2CYSLTR1SCDF13A1PPARA
SCHEMBL2305004 0.77 TYR (0.46) PPARAALDH1A1LMNAPOLBHIF1A
SCHEMBL4450768 0.76 LTB4R (0.49) LTB4RLTB4R2
SCHEMBL4460092 0.75 S1PR1 (0.38) CYSLTR2CYSLTR1SCDF13A1PPARA
SCHEMBL13971111 0.74 LTB4R (0.44) LTB4RLTB4R2

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 CYSLTR2 343/4885CYSLTR1 239/4885SCD 382/4885

“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.