SCHEMBL12736769

SCHEMBL12736769

CCCCc1ccc(C2CCC(OCc3ccc(-c4ccc(CCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.41
SPHK1 Q9NYA1 6/20 0.34
RARB P10826 1/20 0.32
MPL P40238 4/20 0.32
NAAA Q02083 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
SCHEMBL12736770 0.97 FFAR4 (0.41) FFAR4SPHK1RARB
SCHEMBL12736762 0.94 FFAR4 (0.39) FFAR4SPHK1RARBMPLNAAA
SCHEMBL12736767 0.92 FFAR4 (0.40) FFAR4SPHK1RARBMPLNAAA
SCHEMBL12736761 0.90 FFAR4 (0.38) FFAR4NAAA
SCHEMBL12736764 0.89 FFAR4 (0.38) FFAR4SPHK1MPLNAAA
SCHEMBL10302601 0.88 HCRTR2 (0.34) FFAR4SPHK1NAAA
SCHEMBL12736780 0.88 NAAA (0.43) FFAR4MPLNAAA
SCHEMBL12716115 0.86 FFAR4 (0.39) FFAR4SPHK1RARBMPL
SCHEMBL10302598 0.86 HCRTR2 (0.35) FFAR4SPHK1NAAA
SCHEMBL12716672 0.85 FFAR4 (0.38) FFAR4SPHK1RARBMPL

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 5 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-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
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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO 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.