SCHEMBL12733906

SCHEMBL12733906

CCCCCc1ccc(C2CCC(c3ccc(-c4ccc(CCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.40
FFAR4 Q5NUL3 3/20 0.39
RARB P10826 2/20 0.38
SPHK2 Q9NRA0 7/20 0.36
RARA P10276 1/20 0.33
RARG P13631 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
SCHEMBL12716115 0.97 FFAR4 (0.39) SPHK1FFAR4RARBSPHK2
SCHEMBL12716418 0.91 FFAR4 (0.38) SPHK1FFAR4RARBSPHK2
SCHEMBL12716673 0.91 FFAR4 (0.39) SPHK1FFAR4RARB
SCHEMBL12716126 0.89 FFAR4 (0.37) SPHK1FFAR4
SCHEMBL12733854 0.88 RARB (0.38) SPHK1FFAR4RARBSPHK2
SCHEMBL12739844 0.87 RARB (0.36) SPHK1FFAR4RARBRARARARG
SCHEMBL12735120 0.87 SPHK1 (0.39) SPHK1FFAR4RARBSPHK2RARA
SCHEMBL12736770 0.86 FFAR4 (0.41) SPHK1FFAR4RARBSPHK2
SCHEMBL12740326 0.86 FFAR4 (0.38) SPHK1FFAR4RARBRARARARG
SCHEMBL12739896 0.85 RARB (0.39) SPHK1FFAR4RARBRARARARG

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.