SCHEMBL17487645

SCHEMBL17487645

Cc1ccc(OCc2ccc(OCc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRG P48443 2/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
MRGPRX4 Q96LA9 6/20 0.44
MAOB P27338 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
PPARA Q07869 2/20 0.39
FFAR1 O14842 6/20 0.38
PPARD Q03181 4/20 0.38
PPARG P37231 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR5 Q9H228 2/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL17487391 0.94 MAOB (0.45) RXRGRXRARXRBMRGPRX4MAOB
SCHEMBL26864494 0.89 RXRG (0.48) RXRGRXRARXRBMRGPRX4MAOB
SCHEMBL17490328 0.88 FFAR1 (0.44) RXRGRXRARXRBMRGPRX4MAOB
SCHEMBL18887717 0.81 MRGPRX4 (0.37) RXRGRXRARXRBMRGPRX4MAOB
SCHEMBL17490422 0.80 MAOB (0.47) MRGPRX4MAOBLMNAHTT
SCHEMBL10302222 0.80 FFAR1 (0.42) RXRGRXRARXRBMRGPRX4FFAR1
SCHEMBL17487644 0.80 RXRG (0.38) RXRGRXRARXRBMRGPRX4MAOB
SCHEMBL17433295 0.79 GAA (0.43) RXRGRXRARXRBMRGPRX4MAOB
SCHEMBL19703012 0.78 MAOB (0.43) MRGPRX4MAOBLMNAHTTFFAR1
SCHEMBL10302255 0.76 RXRG (0.41) RXRGRXRARXRBMRGPRX4LMNA

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-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 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-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 RXRG 3406/4885RXRA 2419/4885RXRB 3176/4885

“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.