SCHEMBL12736770

SCHEMBL12736770

CCCCCc1ccc(C2CCC(OCc3ccc(-c4ccc(CCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.41
SPHK1 Q9NYA1 13/20 0.38
RARB P10826 1/20 0.36
SPHK2 Q9NRA0 7/20 0.34

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
SCHEMBL12736769 0.97 FFAR4 (0.41) FFAR4SPHK1RARB
SCHEMBL12736762 0.91 FFAR4 (0.39) FFAR4SPHK1RARB
SCHEMBL12736767 0.91 FFAR4 (0.40) FFAR4SPHK1RARB
SCHEMBL12736761 0.89 FFAR4 (0.38) FFAR4
SCHEMBL12736764 0.89 FFAR4 (0.38) FFAR4SPHK1
SCHEMBL12736777 0.88 NAAA (0.42) FFAR4SPHK1RARBSPHK2
SCHEMBL12736781 0.88 NAAA (0.41) FFAR4SPHK1RARBSPHK2
SCHEMBL10302602 0.88 SPHK1 (0.36) SPHK1SPHK2
SCHEMBL12736780 0.87 NAAA (0.43) FFAR4
SCHEMBL12733906 0.86 SPHK1 (0.40) FFAR4SPHK1RARBSPHK2

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 FFAR4 546/4885SPHK1 1395/4885RARB 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.