SCHEMBL4616170

SCHEMBL4616170

CCOC(=O)C(C)(C)Oc1ccc(Oc2ccc(F)c(CN)c2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.49
PPARG P37231 13/20 0.49
PPARD Q03181 13/20 0.49
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
PMP22 Q01453 1/20 0.46
FBP1 P09467 6/20 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
SCHEMBL4614307 0.90 FBP1 (0.48) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL4615139 0.84 FBP1 (0.49) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL4616543 0.83 PPARA (0.50) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL4614350 0.82 PPARA (0.45) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL4613884 0.81 PPARA (0.52) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL5704418 0.81 PPARA (0.51) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL4615354 0.80 FBP1 (0.48) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL4614955 0.80 FBP1 (0.47) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL4616051 0.80 PPARA (0.55) PPARAPPARGPPARDFBP1
SCHEMBL5186652 0.79 FBP1 (0.54) PPARAPPARGPPARDABCB11CYP1A2

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 PPARA 2/4885PPARG 1/4885PPARD 3/4885

“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.