SCHEMBL5113082

SCHEMBL5113082

CCOC(=O)CCc1cc(OC(C)C)nn1Cc1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.53
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.37
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
SCHEMBL5106709 0.90 PPARG (0.62) PPARGCYP4F2CYP4A11ALDH1A1SMN1; SMN2
SCHEMBL5120118 0.89 PPARG (0.51) PPARGCYP4F2CYP4A11LMNAALDH1A1
SCHEMBL5119777 0.87 PPARG (0.55) PPARGLMNAALDH1A1SMN1; SMN2
SCHEMBL5108657 0.87 PPARG (0.66) PPARGLMNATSHR
SCHEMBL5106765 0.86 PPARG (0.57) PPARGCYP4F2CYP4A11
SCHEMBL5120046 0.85 PPARG (0.57) PPARG
SCHEMBL3218906 0.84 PPARG (0.47) PPARGLMNAALDH1A1
SCHEMBL3216029 0.83 PPARG (0.78) PPARG
SCHEMBL3208041 0.83 PPARG (0.53) PPARGLMNAALDH1A1
SCHEMBL5114243 0.82 PPARG (0.65) 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 52/4885CYP4F2 1398/4885CYP4A11 520/4885

“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.