SCHEMBL4454899

SCHEMBL4454899

CCCCCCc1cc(CCC(=O)O)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.58
PPARG P37231 1/20 0.58
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C8 P10632 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54
CYP2C19 P33261 1/20 0.54
TLR7 Q9NYK1 1/20 0.53
LTA4H P09960 1/20 0.51
PPARD Q03181 1/20 0.51
HTR1A P08908 2/20 0.49

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
SCHEMBL15839483 0.99 PPARA (0.56) PPARAPPARGCYP1A2CYP3A4CYP2C8
SCHEMBL13956396 0.89 PPARA (0.55) PPARATLR7PPARD
SCHEMBL4459432 0.86 TLR7 (0.53) PPARAPPARGCYP1A2CYP3A4CYP2C8
SCHEMBL14122353 0.85 PPARG (0.57) PPARAPPARG
SCHEMBL10957252 0.85 PPARA (0.52) PPARAPPARGCYP1A2CYP3A4CYP2C8
SCHEMBL9070266 0.84 PPARG (0.55) PPARAPPARG
SCHEMBL28381703 0.83 HTT (0.59) PPARAPPARG
SCHEMBL21148805 0.82 HDAC1 (0.54) PPARAPPARG
SCHEMBL10835634 0.82 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL12451965 0.81 PPARA (0.56) PPARATLR7PPARD

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 3 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

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 PPARA 275/4885PPARG 309/4885CYP1A2 1114/4885

“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.