SCHEMBL4615139

SCHEMBL4615139

CCOC(=O)C(C)(C)Oc1ccc(Oc2ccc(CN)cc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.49
PPARA Q07869 15/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
HTR2A P28223 1/20 0.47
PMP22 Q01453 1/20 0.47
PPARG P37231 14/20 0.45
PPARD Q03181 13/20 0.45
ST14 Q9Y5Y6 1/20 0.41

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
SCHEMBL4613884 0.92 PPARA (0.52) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4614587 0.90 FBP1 (0.47) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4615354 0.89 FBP1 (0.48) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL1549215 0.87 FBP1 (0.55) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4614307 0.87 FBP1 (0.48) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4616543 0.87 PPARA (0.50) FBP1PPARAABCB11CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4743789 0.86 FBP1 (0.54) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4616051 0.85 PPARA (0.55) FBP1PPARAPPARGPPARD
SCHEMBL14289654 0.84 PPARA (0.52) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4616170 0.84 PPARA (0.49) FBP1PPARAABCB11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 WO 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-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD FBP1 484/4885PPARA 2/4885ABCB11 692/4885

“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.