SCHEMBL4101647

SCHEMBL4101647

CCOC(=O)COc1ccc(C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)nn2CC2CC2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.42
PPARD Q03181 13/20 0.40
PPARA Q07869 8/20 0.39
ESR1 P03372 1/20 0.38
TRPM2 O94759 1/20 0.38
SLC34A1 Q06495 1/20 0.38
PPARG P37231 4/20 0.38

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
SCHEMBL4097716 0.91 PPARD (0.49) CRHR1PPARDPPARAPPARG
SCHEMBL4095815 0.88 CRHR1 (0.40) CRHR1PPARDPPARATRPM2SLC34A1
SCHEMBL4091081 0.87 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL4095633 0.85 PPARD (0.45) CRHR1PPARDPPARAPPARG
SCHEMBL4105039 0.84 CRHR1 (0.43) CRHR1
SCHEMBL4090780 0.79 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL4095560 0.79 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL4105650 0.76 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL14573029 0.74 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL4090763 0.74 PPARD (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090240058-A1 Activator for Peroxisome Proliferator-Activating Receptor Delta NIPPON CHEMIPHAR CO., LTD. (JP) 2009-09-24 US disclosed
EP-1854784-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR ACTIVATING RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2007-11-14 EP 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-20090240058-A1 Activator for Peroxisome Proliferator-Activating Receptor Delta PPARG, PPARA, PPARD CRHR1 1324/4885PPARD 3/4885PPARA 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.