SCHEMBL4677745

SCHEMBL4677745

CCOC(=O)C(C)(C)Oc1c(C)cc(O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.50
CYP3A4 P08684 2/20 0.50
ABCB11 O95342 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
HTR2A P28223 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
FBP1 P09467 12/20 0.43
PPARG P37231 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CNR2 P34972 2/20 0.39

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
SCHEMBL21188304 0.88 PPARA (0.51) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL27349432 0.85 PPARA (0.49) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL25931907 0.84 PPARA (0.46) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL14445899 0.84 PPARA (0.48) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL28694469 0.83 CYP3A4 (0.43) PPARACYP3A4SMN1; SMN2TDP1CA12
SCHEMBL21016866 0.83 PPARA (0.47) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL5479969 0.83 PPARA (0.50) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL4678488 0.83 PPARA (0.47) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL814693 0.83 FBP1 (0.49) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL21188213 0.81 FBP1 (0.48) PPARACYP3A4ABCB11CYP1A2TSHR

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-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 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-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators CEL, HPN, LIPA PPARA 54/4885CYP3A4 253/4885ABCB11 18/4885

“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.