SCHEMBL5111431

SCHEMBL5111431

COc1cccc(CC(=O)O)c1OCCCc1ccc(OC(C)C)cc1Oc1ccc(C(F)(F)F)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.49
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LIPE Q05469 3/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SCN9A Q15858 3/20 0.38
MAPK1 P28482 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
SCHEMBL5114363 0.95 PPARG (0.48) PPARGTSHRSMN1; SMN2LIPEPLAAT3
SCHEMBL5119969 0.91 PPARG (0.48) PPARGTSHRSMN1; SMN2LIPEPLAAT3
SCHEMBL5120123 0.91 TSHR (0.47) PPARGTSHRSMN1; SMN2LIPEPLAAT3
SCHEMBL5107207 0.89 TSHR (0.46) PPARGTSHRSMN1; SMN2LIPEPLAAT3
SCHEMBL5105960 0.89 TSHR (0.48) PPARGTSHRSMN1; SMN2LIPEPLAAT3
SCHEMBL5109804 0.88 PPARG (0.57) PPARGSMN1; SMN2LMNA
SCHEMBL5106647 0.88 TSHR (0.48) PPARGTSHRSMN1; SMN2LIPEPLAAT3
SCHEMBL5119471 0.81 MAPK1 (0.50) LIPEPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5113771 0.81 PPARG (0.59) PPARGTSHRSMN1; SMN2LIPELMNA
SCHEMBL5113011 0.80 PPARG (0.44) PPARGLIPEPLAAT3PLAAT5PLAAT2

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 52/4885TSHR 98/4885SMN1; SMN2 3876/4885

“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.