SCHEMBL4458645

SCHEMBL4458645

CCCCCC(=O)c1cc(CCC(=O)OCC)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
CYP2C9 P11712 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C8 P10632 2/20 0.50
CYP2B6 P20813 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
LTA4H P09960 2/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
TLR7 Q9NYK1 1/20 0.46
ALDH1A1 P00352 1/20 0.46
EPHX2 P34913 1/20 0.44
CYP2E1 P05181 1/20 0.44
HTR1A P08908 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL6494445 0.83 CYP4F2 (0.54) CYP4F2CYP4A11L3MBTL1PPARGPPARA
SCHEMBL2623698 0.82 ALDH1A1 (0.52) CYP3A4CYP2C9CYP1A2CYP2C19GAA
SCHEMBL4459432 0.81 TLR7 (0.53) CYP3A4CYP2C9CYP1A2CYP2C8CYP2B6
SCHEMBL10834943 0.81 DRD2 (0.46) CYP4F2CYP4A11PPARGPPARAALDH1A1
SCHEMBL491276 0.80 CYP4F2 (0.59) CYP3A4CYP1A2CYP4F2CYP4A11LTA4H
SCHEMBL8984891 0.79 CYP4F2 (0.58) CYP4F2CYP4A11ALOX5
SCHEMBL10600889 0.79 GAA (0.67) GAATDP1L3MBTL1EPHX2
SCHEMBL2632416 0.79 CYP4F2 (0.58) CYP4F2CYP4A11GAAALDH1A1ALOX5
SCHEMBL10599678 0.79 GAA (0.67) GAATDP1L3MBTL1EPHX2
SCHEMBL8078006 0.79 GAA (0.67) GAATDP1L3MBTL1EPHX2

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 CYP3A4 1160/4885CYP2C9 521/4885CYP1A2 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.