SCHEMBL3311532

SCHEMBL3311532

CCOC(=O)C(C)(C)Oc1ccc(OC(c2ccc(C(F)(F)F)cc2)c2n[nH]c(=O)n2C(C)C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.39
PPARA Q07869 15/20 0.39
PPARG P37231 12/20 0.38
FBP1 P09467 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL3306901 0.91 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL3310471 0.86 PPARD (0.36) PPARDPPARAPPARGFBP1
SCHEMBL3303462 0.86 PPARD (0.36) PPARDPPARAPPARGFBP1
SCHEMBL3306534 0.83 PPARD (0.41) PPARDPPARAPPARGFBP1PTGDR2
SCHEMBL3307717 0.79 PPARA (0.44) PPARDPPARAPPARG
SCHEMBL3306926 0.78 PPARD (0.44) PPARDPPARAPPARG
SCHEMBL3307132 0.77 PPARD (0.44) PPARDPPARAPPARG
SCHEMBL3302122 0.76 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL3311529 0.73 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL13899140 0.71 PPARD (0.45) PPARDPPARAPPARG

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
US-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-04-22 US disclosed
EP-2129667-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2009-12-09 EP disclosed
WO-2008103574-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-08-28 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-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885PPARG 2/4885

“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.