SCHEMBL17487692

SCHEMBL17487692

CCCCCC1CCC(c2ccc(-c3ccc(CCc4cc(F)c(F)c(F)c4)c(F)c3F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.36
FFAR4 Q5NUL3 2/20 0.35
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.32
SPHK2 Q9NRA0 7/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL17487683 0.99 SPHK1 (0.37) SPHK1FFAR4SPHK2GAAMAPT
SCHEMBL17487680 0.99 SPHK1 (0.37) SPHK1FFAR4SPHK2GAAMAPT
SCHEMBL17487682 0.97 FFAR4 (0.36) SPHK1FFAR4CYP2C9CYP3A4SPHK2
SCHEMBL17487969 0.93 RARB (0.35) SPHK1FFAR4CYP2C9CYP3A4SPHK2
SCHEMBL17487690 0.93 CYP2C9 (0.39) SPHK1FFAR4CYP2C9CYP3A4MAPT
SCHEMBL17487968 0.89 SPHK1 (0.35) SPHK1FFAR4CYP2C9CYP3A4SPHK2
SCHEMBL17487756 0.89 CYP2C9 (0.38) SPHK1FFAR4CYP2C9CYP3A4SPHK2
SCHEMBL22277697 0.89 SPHK1 (0.43) SPHK1FFAR4CYP2C9SPHK2
SCHEMBL17487691 0.88 FFAR4 (0.36) FFAR4CYP2C9CYP3A4
SCHEMBL9405762 0.88 SPHK1 (0.38) SPHK1FFAR4CYP2C9SPHK2GAA

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 SPHK1 2092/4885FFAR4 1903/4885CYP2C9 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.