SCHEMBL12735120

SCHEMBL12735120

CCCCCc1ccc(C2CCC(CCc3ccc(-c4ccc(CCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.39
FFAR4 Q5NUL3 2/20 0.37
RARB P10826 2/20 0.36
SPHK2 Q9NRA0 7/20 0.35
RARA P10276 1/20 0.32
RARG P13631 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
SCHEMBL12716672 0.97 FFAR4 (0.38) SPHK1FFAR4RARBSPHK2
SCHEMBL12716481 0.91 FFAR4 (0.36) SPHK1FFAR4RARB
SCHEMBL12735117 0.91 FFAR4 (0.37) SPHK1FFAR4RARB
SCHEMBL12716960 0.89 FFAR4 (0.35) FFAR4
SCHEMBL12716675 0.88 FFAR4 (0.35) SPHK1FFAR4
SCHEMBL10302077 0.88 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL12733906 0.87 SPHK1 (0.40) SPHK1FFAR4RARBSPHK2RARA
SCHEMBL12735123 0.87 FFAR4 (0.39) SPHK1FFAR4RARBSPHK2
SCHEMBL8932985 0.87 RARB (0.37) SPHK1FFAR4RARBSPHK2
SCHEMBL8932840 0.87 RARB (0.37) SPHK1FFAR4RARBSPHK2

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 SPHK1 1395/4885FFAR4 546/4885RARB 2705/4885

“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.