SCHEMBL12736726

SCHEMBL12736726

CCOc1ccc(C2CCC(OCc3ccc(-c4ccc(CC)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.38
ALOX5AP P20292 5/20 0.34
FEN1 P39748 5/20 0.34
FFAR4 Q5NUL3 4/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FPR2 P25090 2/20 0.32
CHKA P35790 1/20 0.32
SLC5A2 P31639 2/20 0.31
CYP3A4 P08684 1/20 0.31
RET P07949 1/20 0.31
ESR1 P03372 1/20 0.30
HTR1A P08908 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
SCHEMBL12740301 1.00 NAAA (0.38) NAAAALOX5APFEN1FFAR4FGFR1
SCHEMBL12736736 0.93 NAAA (0.37) NAAAALOX5APFEN1FFAR4FGFR1
SCHEMBL12740307 0.93 NAAA (0.37) NAAAALOX5APFEN1FFAR4FGFR1
SCHEMBL12740302 0.92 NAAA (0.37) NAAAALOX5APFEN1FFAR4FGFR1
SCHEMBL12736719 0.92 NAAA (0.37) NAAAALOX5APFEN1FFAR4FGFR1
SCHEMBL12740299 0.92 NAAA (0.38) NAAAALOX5APFEN1FFAR4FPR2
SCHEMBL12736722 0.92 NAAA (0.38) NAAAALOX5APFEN1FFAR4FPR2
SCHEMBL12740309 0.91 NAAA (0.38) NAAAALOX5APFEN1FFAR4FGFR1
SCHEMBL14765827 0.91 NAAA (0.38) NAAAALOX5APFEN1FFAR4FGFR1
SCHEMBL12736734 0.91 NAAA (0.38) NAAAALOX5APFEN1FFAR4FGFR1

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 NAAA 3997/4885ALOX5AP 1673/4885FEN1 3340/4885

“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.