SCHEMBL4092277

SCHEMBL4092277

COc1ccc(C(=O)c2ccc(OCc3ccc(OC(F)(F)F)c(Cl)c3)cc2)c(OC(C)(C)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.48
PPARA Q07869 11/20 0.47
PPARD Q03181 10/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.43
NPC1 O15118 1/20 0.42
SCN1A P35498 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
S1PR1 P21453 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
Trifluoroacetic Acid SCHEMBL4097380 0.89 PPARA (0.43) PPARGPPARAPPARDPTGDR2MRGPRX4
SCHEMBL4108605 0.84 PPARG (0.51) PPARGPPARAPPARDNPC1
SCHEMBL4107394 0.83 PPARG (0.63) PPARGPPARAPPARDNPC1
SCHEMBL4104126 0.82 PPARG (0.53) PPARGPPARAPPARDMRGPRX4NPC1
SCHEMBL4097643 0.82 PPARG (0.57) PPARGPPARAPPARDNPC1
SCHEMBL4097382 0.81 PTGDR2 (0.38) PPARGPPARAPPARDPTGDR2MRGPRX4
SCHEMBL4107844 0.81 PPARG (0.54) PPARGPPARAPPARDNPC1
SCHEMBL4098899 0.80 PPARG (0.54) PPARGPPARAPPARDNPC1
SCHEMBL4103391 0.80 NPC1 (0.44) PPARGPPARAPPARDNPC1
SCHEMBL4102590 0.80 NR4A2 (0.55) PPARGPPARANPC1S1PR1

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-20090054435-A1 Phenoxyalkanoic Acid Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-26 US disclosed
EP-1911738-A1 PHENOXYALKANOIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20090054435-A1 Phenoxyalkanoic Acid Compound PNLIP, GPR119, LIPC PPARG 23/4885PPARA 8/4885PPARD 30/4885

“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.