SCHEMBL5113115

SCHEMBL5113115

CC(C)Oc1ccc(CCCOc2nn(C)cc2CC(=O)O)c(OCc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
PTGER1 P34995 4/20 0.40
NR4A2 P43354 2/20 0.39
P2RX3 P56373 2/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
HTR2A P28223 1/20 0.38
FFAR1 O14842 3/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR Q13258 1/20 0.36
S1PR1 P21453 1/20 0.36
LTK P29376 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL5119132 0.89 PPARG (0.47) PPARGPTGER1P2RX3FABP3FABP4
SCHEMBL5113595 0.86 PPARG (0.45) PPARGP2RX3LMNASMN1; SMN2
SCHEMBL5118953 0.81 PPARG (0.48) PPARGP2RX3FFAR1LMNASMN1; SMN2
SCHEMBL5109103 0.80 PPARG (0.54) PPARGPTGER1NR4A2FFAR1PTGDR
SCHEMBL5120370 0.80 PPARG (0.58) PPARGFFAR1LMNASMN1; SMN2
SCHEMBL5109947 0.79 PPARG (0.70) PPARG
SCHEMBL3221332 0.79 PPARG (0.52) PPARGPTGER1NR4A2FABP3FABP4
SCHEMBL5110500 0.78 PPARG (0.45) PPARGP2RX3LMNASMN1; SMN2
SCHEMBL3210357 0.77 LMNA (0.47) PTGER1NR4A2FABP3FABP4FABP5
SCHEMBL5107321 0.77 PPARG (0.59) PPARGPTGER1

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 52/4885PTGER1 2697/4885NR4A2 81/4885

“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.