SCHEMBL4459432

SCHEMBL4459432

CCCCCCc1cc(CCC(=O)OCC)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.53
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
LTA4H P09960 1/20 0.48
HTR1A P08908 2/20 0.46

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
SCHEMBL2623696 0.90 TLR7 (0.47) TLR7CYP3A4CYP1A2CYP2C8CYP2C9
SCHEMBL2432179 0.87 CYP4F2 (0.56) TLR7CYP4F2CYP4A11
SCHEMBL4454899 0.86 PPARA (0.58) TLR7PPARGPPARACYP3A4CYP1A2
SCHEMBL15839483 0.84 PPARA (0.56) TLR7PPARGPPARACYP3A4CYP1A2
SCHEMBL10835928 0.83 CYP4F2 (0.47) TLR7PPARACYP3A4CYP1A2CYP2C9
SCHEMBL4332327 0.83 CYP4F2 (0.52) TLR7CYP4F2CYP4A11
SCHEMBL14122353 0.82 PPARG (0.57) PPARGPPARA
SCHEMBL2623700 0.82 ALDH1A1 (0.57) CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL26239818 0.82 CYP4F2 (0.55) PPARGPPARACYP3A4CYP1A2CYP2C9
SCHEMBL4458645 0.81 CYP3A4 (0.50) TLR7PPARGPPARACYP3A4CYP1A2

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 4 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-8772226-B2 Methods and compositions for the detection of cancer THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-08 US 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 TLR7 287/4885PPARG 309/4885PPARA 275/4885

“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.