SCHEMBL17487644

SCHEMBL17487644

CCCc1ccc(OCc2ccc(OCc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRG P48443 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
MAOB P27338 1/20 0.38
FFAR1 O14842 4/20 0.37
PPARD Q03181 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MRGPRX4 Q96LA9 3/20 0.37
FFAR4 Q5NUL3 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ABCB1 P08183 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL17487390 0.94 MAOB (0.41) RXRGLMNAHTTMAOBMRGPRX4
SCHEMBL17487643 0.90 RXRG (0.42) RXRGLMNAHTTMAOBFFAR1
SCHEMBL17487631 0.87 CTSL (0.39) RXRGLMNAHTTMAOBMRGPRX4
SCHEMBL17490328 0.86 FFAR1 (0.44) RXRGLMNAHTTMAOBFFAR1
SCHEMBL19703012 0.86 MAOB (0.43) LMNAHTTMAOBFFAR1MRGPRX4
SCHEMBL17487607 0.85 CTSL (0.41) RXRGMAOBFFAR1PPARDMRGPRX4
SCHEMBL17487412 0.83 FFAR4 (0.45) RXRGFFAR1PPARDPPARGPPARA
SCHEMBL10302216 0.83 NAAA (0.43) RXRGFFAR1PPARDRXRARXRB
SCHEMBL17377925 0.83 FFAR4 (0.37) RXRGMAOBFFAR1MRGPRX4FFAR4
SCHEMBL17487946 0.81 CTSL (0.37) RXRGMAOBFFAR1PPARDPPARA

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 4 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-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
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 3406/4885LMNA 838/4885HTT 3054/4885

“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.