SCHEMBL12736719

SCHEMBL12736719

CCCc1ccc(-c2ccc(COC3CCC(c4ccc(OCC)c(F)c4F)CC3)c(F)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.37
FFAR4 Q5NUL3 5/20 0.36
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
FPR2 P25090 2/20 0.31
CHKA P35790 1/20 0.31

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
SCHEMBL12740302 1.00 NAAA (0.37) NAAAFFAR4GABRA1GABRB2FGFR1
SCHEMBL12740304 0.93 FFAR4 (0.38) NAAAFFAR4FGFR1FGFR2ALOX5AP
SCHEMBL12736724 0.93 FFAR4 (0.38) NAAAFFAR4FGFR1FGFR2ALOX5AP
SCHEMBL12740301 0.92 NAAA (0.38) NAAAFFAR4FGFR1FGFR2ALOX5AP
SCHEMBL12736726 0.92 NAAA (0.38) NAAAFFAR4FGFR1FGFR2ALOX5AP
SCHEMBL12740307 0.91 NAAA (0.37) NAAAFFAR4GABRA1FGFR1FGFR2
SCHEMBL12736736 0.91 NAAA (0.37) NAAAFFAR4GABRA1FGFR1FGFR2
SCHEMBL12736718 0.91 FFAR4 (0.37) FFAR4ALOX5APFEN1CTSLCTSS
SCHEMBL12740295 0.91 FFAR4 (0.37) FFAR4ALOX5APFEN1CTSLCTSS
SCHEMBL12716112 0.91 FFAR4 (0.40) FFAR4GABRA1GABRB2FGFR1FGFR2

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 4 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
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 NAAA 3997/4885FFAR4 546/4885GABRA1 3981/4885

“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.