SCHEMBL6035112

SCHEMBL6035112

CCCc1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCCOc1cc(CC(=O)O)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.42
PPARA Q07869 9/20 0.42
NR1H2 P55055 9/20 0.41
NR1H3 Q13133 9/20 0.41
PPARG P37231 5/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.39
TBXA2R P21731 1/20 0.39
PTGDR Q13258 1/20 0.39
ROCK2 O75116 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL6035524 0.98 PPARD (0.43) PPARDPPARANR1H2NR1H3PPARG
SCHEMBL6035430 0.94 PPARD (0.41) PPARDPPARANR1H2NR1H3PPARG
SCHEMBL6035664 0.91 PPARD (0.41) PPARDPPARANR1H2NR1H3PPARG
SCHEMBL6036342 0.91 FFAR4 (0.45) PPARDPPARANR1H2NR1H3PPARG
SCHEMBL6034876 0.89 NR1H2 (0.40) PPARDPPARANR1H2NR1H3PPARG
SCHEMBL6036423 0.88 PPARD (0.40) PPARDPPARANR1H2NR1H3PPARG
SCHEMBL6036038 0.88 FFAR4 (0.45) PPARDPPARANR1H2NR1H3PPARG
SCHEMBL6034663 0.87 PPARG (0.44) PPARDPPARANR1H2NR1H3PPARG
SCHEMBL6034463 0.87 PPARD (0.43) PPARDPPARANR1H2NR1H3PTGDR2
SCHEMBL6036152 0.86 PLA2G4B (0.43) PPARDPPARANR1H2NR1H3PPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 PPARD 2488/4885PPARA 1717/4885NR1H2 12/4885

“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.