SCHEMBL5105960

SCHEMBL5105960

CCCCOc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1CCCOc1c(CC(=O)O)cccc1OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LIPE Q05469 5/20 0.44
MAPK1 P28482 1/20 0.44
PPARG P37231 4/20 0.43
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
SCN9A Q15858 4/20 0.42
LMNA P02545 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HPGD P15428 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
SCHEMBL5106647 0.98 TSHR (0.48) TSHRSMN1; SMN2LIPEMAPK1PPARG
SCHEMBL5119969 0.94 PPARG (0.48) TSHRSMN1; SMN2LIPEMAPK1PPARG
SCHEMBL5107207 0.92 TSHR (0.46) TSHRSMN1; SMN2LIPEMAPK1PPARG
SCHEMBL5114363 0.91 PPARG (0.48) TSHRSMN1; SMN2LIPEMAPK1PPARG
SCHEMBL5120123 0.89 TSHR (0.47) TSHRSMN1; SMN2LIPEMAPK1PPARG
SCHEMBL5111431 0.89 PPARG (0.49) TSHRSMN1; SMN2LIPEMAPK1PPARG
SCHEMBL5119471 0.89 MAPK1 (0.50) LIPEMAPK1PLAAT3PLAAT5PLAAT2
SCHEMBL5109804 0.79 PPARG (0.57) SMN1; SMN2PPARGLMNA
SCHEMBL5121328 0.79 MAPK1 (0.52) LIPEMAPK1PPARGSCN9ALMNA
SCHEMBL6036305 0.78 PPARG (0.39) TSHRSMN1; SMN2MAPK1PPARGSCN9A

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 1 patent. 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

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 TSHR 98/4885SMN1; SMN2 3876/4885LIPE 2122/4885

“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.