SCHEMBL12823699

SCHEMBL12823699

COc1ccc(/C=C/c2ccc(-c3ccc(C4CCC(OC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 8/20 0.48
NFE2L2 Q16236 2/20 0.38
PTGS1 P23219 3/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
NAAA Q02083 1/20 0.35
PTGS2 P35354 3/20 0.34

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
SCHEMBL12822424 0.91 TUBB1 (0.44) TUBB1ALOX5APFEN1NAAA
SCHEMBL12739415 0.88 TUBB1 (0.46) TUBB1NFE2L2PTGS1ALOX5APFEN1
SCHEMBL12739402 0.88 TUBB1 (0.46) TUBB1NFE2L2PTGS1PTGS2
SCHEMBL12716435 0.87 NFE2L2 (0.35) TUBB1NFE2L2PTGS1ALOX5APFEN1
SCHEMBL12822086 0.87 NFE2L2 (0.35) TUBB1NFE2L2PTGS1ALOX5APFEN1
SCHEMBL13586344 0.85 ALOX5AP (0.32) TUBB1ALOX5APFEN1
SCHEMBL12821230 0.84 TUBB1 (0.41) TUBB1NFE2L2NAAA
SCHEMBL12822707 0.84 TUBB1 (0.48) TUBB1NFE2L2PTGS1
SCHEMBL12739405 0.83 TUBB1 (0.42) TUBB1NFE2L2PTGS1
SCHEMBL12823732 0.83 NAAA (0.41) ALOX5APFEN1NAAAPTGS2

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 3 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
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 TUBB1 664/4885NFE2L2 1574/4885PTGS1 4149/4885

“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.