SCHEMBL12736740

SCHEMBL12736740

CCCCCOc1ccc(C2CCC(OCc3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ALOX5AP P20292 4/20 0.31
FEN1 P39748 4/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FPR2 P25090 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PTPN11 Q06124 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
SCHEMBL12740311 1.00 NAAA (0.32) NAAAFFAR4ALOX5APFEN1ALDH1A1
SCHEMBL12740312 0.99 NAAA (0.32) NAAAFFAR4ALOX5APFEN1ALDH1A1
SCHEMBL12736745 0.99 NAAA (0.32) NAAAFFAR4ALOX5APFEN1ALDH1A1
SCHEMBL12740314 0.99 NAAA (0.32) NAAAFFAR4ALOX5APFEN1ALDH1A1
SCHEMBL12740313 0.99 NAAA (0.32) NAAAFFAR4ALOX5APFEN1ALDH1A1
SCHEMBL12736741 0.99 NAAA (0.32) NAAAFFAR4ALOX5APFEN1ALDH1A1
SCHEMBL12736746 0.99 NAAA (0.32) NAAAFFAR4ALOX5APFEN1ALDH1A1
SCHEMBL12740310 0.97 FFAR4 (0.34) NAAAFFAR4ALOX5APFEN1FPR2
SCHEMBL12736737 0.97 FFAR4 (0.34) NAAAFFAR4ALOX5APFEN1FPR2
SCHEMBL12740309 0.91 NAAA (0.38) NAAAFFAR4ALOX5APFEN1ALDH1A1

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 NAAA 3997/4885FFAR4 546/4885ALOX5AP 1673/4885

“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.