SCHEMBL5114904

SCHEMBL5114904

CC(C)Oc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1CCCOc1cc(CCC(=O)O)n(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
SCN9A Q15858 8/20 0.41
PPARG P37231 5/20 0.40
LIPE Q05469 5/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5120724 0.95 PPARG (0.42) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL5107803 0.90 SCN9A (0.42) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL5107293 0.90 PPARG (0.40) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL5119989 0.85 PPARG (0.56) PPARGLIPESMN1; SMN2
SCHEMBL5119630 0.85 PSEN1 (0.40) PPARGPPARDPPARA
SCHEMBL5119821 0.85 PPARG (0.44) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL5120546 0.83 PPARG (0.55) PPARGLIPESMN1; SMN2
SCHEMBL5113266 0.80 SCN9A (0.43) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL6035849 0.78 MLYCD (0.36) PPARGPPARDPPARA
SCHEMBL5115463 0.78 PPARG (0.46) PPARGLIPEPPARDPPARA

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 PLAAT3 4016/4885PLAAT5 4316/4885PLAAT2 4753/4885

“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.