SCHEMBL16243199

SCHEMBL16243199

CCOC(=O)C(C)(C)Oc1ccc(C2CC2C(OC)c2ccc(OC(F)(F)F)cc2)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.57
PPARG P37231 8/20 0.57
PPARD Q03181 8/20 0.57
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
PMP22 Q01453 1/20 0.37
FBP1 P09467 4/20 0.36
PDE2A O00408 5/20 0.35
POLB P06746 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL16243352 0.91 PPARA (0.64) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL16243168 0.90 PPARA (0.48) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL16242791 0.89 PPARA (0.56) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL15068185 0.89 PPARA (0.69) PPARAPPARGPPARDTSHR
SCHEMBL16243217 0.88 PPARA (0.56) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL16242925 0.84 PPARA (0.80) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL16242927 0.84 PPARA (0.68) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL15066869 0.81 PPARA (0.54) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL15067893 0.81 PPARA (0.79) PPARAPPARGPPARDTSHR
SCHEMBL16243274 0.79 PPARA (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115073-B2 1,3-diphenylpropane derivatives, preparations and uses thereof GENFIT (FR) 2015-08-25 US disclosed
US-20140350112-A1 1,3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES THEREOF GENFIT (FR) 2014-11-27 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-20140350112-A1 1,3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES THEREOF PPARD, PPARA, PPARG PPARA 2/4885PPARG 3/4885PPARD 1/4885

“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.