SCHEMBL5113052

SCHEMBL5113052

CCOC(=O)CCc1ccc(OC(C)C)cc1Oc1ncc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ACACB O00763 1/20 0.43
LIPE Q05469 3/20 0.42
BCHE P06276 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
APEX1 P27695 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL3204993 0.88 PPARG (0.71) PPARGLMNASMN1; SMN2
SCHEMBL3205050 0.86 PPARG (0.54) PPARGL3MBTL1LIPEBCHELMNA
SCHEMBL5120234 0.82 PPARG (0.51) PPARGL3MBTL1ACACBLIPEBCHE
SCHEMBL5111750 0.82 NR4A2 (0.45) PPARGL3MBTL1LMNA
SCHEMBL5106917 0.79 PPARG (0.59) PPARGLMNA
SCHEMBL5112749 0.78 PPARG (0.59) PPARGLMNASMN1; SMN2
SCHEMBL5119484 0.76 PPARG (0.62) PPARGLMNA
SCHEMBL3211351 0.76 PPARG (0.66) PPARG
SCHEMBL5113018 0.76 PPARG (0.52) PPARGLIPELMNAMAPK1
SCHEMBL3204960 0.76 PPARG (0.59) PPARGLMNA

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 52/4885L3MBTL1 2694/4885ACACB 1263/4885

“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.