SCHEMBL12739986

SCHEMBL12739986

CCCCCc1ccc(CCc2ccc(-c3ccc(C4CCC(CCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.37
S1PR1 P21453 2/20 0.36
FFAR4 Q5NUL3 2/20 0.35
SPHK1 Q9NYA1 6/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
TLR8 Q9NR97 1/20 0.31
MPL P40238 2/20 0.31
S1PR3 Q99500 1/20 0.30

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
SCHEMBL12740034 0.97 RARB (0.39) RARBS1PR1FFAR4SPHK1RARA
SCHEMBL12739984 0.97 FFAR4 (0.36) RARBS1PR1FFAR4MPLS1PR3
SCHEMBL12740031 0.94 FFAR4 (0.37) RARBS1PR1FFAR4MPLS1PR3
SCHEMBL12739844 0.93 RARB (0.36) RARBS1PR1FFAR4SPHK1RARA
SCHEMBL12739896 0.91 RARB (0.39) RARBS1PR1FFAR4SPHK1RARA
SCHEMBL12735256 0.91 RARB (0.34) RARBFFAR4SPHK1
SCHEMBL12739944 0.91 RARB (0.34) RARBFFAR4SPHK1
SCHEMBL12739983 0.91 FFAR4 (0.35) RARBFFAR4MPL
SCHEMBL12739842 0.90 FFAR4 (0.35) RARBS1PR1FFAR4MPLS1PR3
SCHEMBL12739979 0.90 FFAR4 (0.36) RARBS1PR1FFAR4MPLS1PR3

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 RARB 2705/4885S1PR1 1190/4885FFAR4 546/4885

“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.