SCHEMBL17487682

SCHEMBL17487682

CCCCC1CCC(c2ccc(-c3ccc(CCc4cc(F)c(F)c(F)c4)c(F)c3F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.36
SPHK1 Q9NYA1 8/20 0.34
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.32
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
APP P05067 1/20 0.31
SPHK2 Q9NRA0 2/20 0.31

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
SCHEMBL17487692 0.97 SPHK1 (0.36) FFAR4SPHK1CYP2C9CYP3A4MAPT
SCHEMBL17487680 0.96 SPHK1 (0.37) FFAR4SPHK1MAPTSPHK2
SCHEMBL17487683 0.96 SPHK1 (0.37) FFAR4SPHK1MAPTSPHK2
SCHEMBL17487690 0.94 CYP2C9 (0.39) FFAR4SPHK1CYP2C9CYP3A4ALDH1A1
SCHEMBL17487969 0.90 RARB (0.35) FFAR4SPHK1CYP2C9CYP3A4APP
SCHEMBL17487756 0.90 CYP2C9 (0.38) FFAR4SPHK1CYP2C9CYP3A4ALDH1A1
SCHEMBL17487691 0.89 FFAR4 (0.36) FFAR4CYP2C9CYP3A4ESR2APP
SCHEMBL17552978 0.87 CYP2C9 (0.39) SPHK1CYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL18779806 0.86 CYP2C9 (0.38) FFAR4SPHK1CYP2C9CYP3A4ALDH1A1
SCHEMBL17487968 0.86 SPHK1 (0.35) FFAR4SPHK1CYP2C9CYP3A4MAPT

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 FFAR4 1903/4885SPHK1 2092/4885CYP2C9 1749/4885

“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.