SCHEMBL5114487

SCHEMBL5114487

COc1cccc(CC(=O)O)c1OCCCc1cc(OC(C)C)nn1Cc1ccccc1Cl

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.87
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
SLC16A3 O15427 4/20 0.41
SLC16A1 P53985 4/20 0.41
P2RX7 Q99572 1/20 0.41
MCTS1 Q9ULC4 1/20 0.39
USP2 O75604 1/20 0.38
THRB P10828 1/20 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
SCHEMBL5112392 0.94 PPARG (0.83) PPARGFABP4FABP5SLC16A3SLC16A1
SCHEMBL5119547 0.93 PPARG (0.81) PPARGSLC16A3SLC16A1MCTS1
SCHEMBL5113561 0.93 PPARG (1.00) PPARG
SCHEMBL5112256 0.93 PPARG (0.79) PPARG
SCHEMBL5113706 0.92 PPARG (0.87) PPARGP2RX7
SCHEMBL5112360 0.91 PPARG (0.77) PPARGSLC16A3SLC16A1
SCHEMBL5234837 0.90 PPARG (0.90) PPARG
SCHEMBL5111578 0.90 PPARG (0.76) PPARGFABP4FABP5
SCHEMBL5114191 0.90 PPARG (0.88) PPARG
SCHEMBL5119377 0.89 PPARG (0.82) PPARG

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-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 PPARG 52/4885FABP4 512/4885FABP5 978/4885

“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.