SCHEMBL18310489

SCHEMBL18310489

CCCc1ccc(C2CCC(c3ccc(-c4cc(F)c(OCF)c(F)c4)c(F)c3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.36
FFAR4 Q5NUL3 3/20 0.36
SPHK2 Q9NRA0 7/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
APP P05067 1/20 0.33
FASN P49327 1/20 0.33

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
SCHEMBL19829180 0.89 SPHK1 (0.42) SPHK1FFAR4SPHK2
SCHEMBL18310420 0.85 CYP2C9 (0.39) FFAR4CYP3A4CYP2C9APPFASN
SCHEMBL20111086 0.85 ALOX5AP (0.36) CYP3A4CYP2C9APPFASN
SCHEMBL17050138 0.84 CYP3A4 (0.36) SPHK1FFAR4SPHK2CYP3A4CYP2C9
SCHEMBL18310491 0.84 FFAR4 (0.33) FFAR4
SCHEMBL18310480 0.83 CYP2C9 (0.38) FFAR4CYP3A4CYP2C9APPFASN
SCHEMBL20111088 0.83 CYP2C9 (0.33) FFAR4CYP3A4CYP2C9APPFASN
SCHEMBL18310564 0.83 CYP2C9 (0.38) FFAR4CYP3A4CYP2C9APPFASN
SCHEMBL18310409 0.83 RARB (0.40)
SCHEMBL18310483 0.83 RARB (0.40)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951277-B2 Liquid crystal compound having 1,1,3,3-tetrafluoroallyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-04-24 US disclosed
US-20180030351-A1 LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed
US-20160362605-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-12-15 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-20160362605-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE TCOF1, PIEZO1, RCC1 SPHK1 3363/4885FFAR4 1281/4885SPHK2 3236/4885

“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.