SCHEMBL6080934

SCHEMBL6080934

CCOC(=O)C(C)(C)Oc1ccc(CC(=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PPARA Q07869 7/20 0.56
ABCB11 O95342 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
HTR2A P28223 1/20 0.56
PMP22 Q01453 1/20 0.56
PPARG P37231 8/20 0.48
FBP1 P09467 1/20 0.46
ENPP2 Q13822 1/20 0.45
PPARD Q03181 1/20 0.44
LIPE Q05469 1/20 0.44
ALOX5 P09917 2/20 0.44
MMP8 P22894 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL1115984 0.88 PPARA (0.66) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL6081371 0.88 PPARA (0.61) ALDH1A1MAPK1L3MBTL1PPARAABCB11
SCHEMBL5793096 0.87 ALDH1A1 (0.64) ALDH1A1MAPK1L3MBTL1PPARACYP1A2
SCHEMBL4428685 0.84 PPARG (0.61) ALDH1A1L3MBTL1PPARAABCB11CYP1A2
SCHEMBL6080910 0.83 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1PPARAABCB11
SCHEMBL6081096 0.83 PPARA (0.66) ALDH1A1PPARAABCB11CYP1A2CYP3A4
SCHEMBL6080648 0.82 CYP1A2 (0.47) ALDH1A1MAPK1L3MBTL1PPARACYP1A2
SCHEMBL6080937 0.81 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1PPARAABCB11
SCHEMBL6741995 0.81 PPARA (0.54) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL2824491 0.81 PPARA (0.71) ALDH1A1PPARAABCB11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses GENFIT (FR) 2006-04-13 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-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses AADAC, NAT1, PARN ALDH1A1 845/4885MAPK1 3624/4885L3MBTL1 2320/4885

“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.