SCHEMBL12822935

SCHEMBL12822935

CCOc1ccc(-c2ccc(/C=C/c3ccc(C4CCC(OC)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
FPR2 P25090 3/20 0.33
TUBB1 Q9H4B7 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
SERPINA2 P20848 1/20 0.30
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30
PRKDC P78527 1/20 0.30
ATR Q13535 1/20 0.30
ATRIP Q8WXE1 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
SCHEMBL13586495 1.00 ALOX5AP (0.33) ALOX5APFEN1FPR2TUBB1FGFR1
SCHEMBL14766334 0.92 FGFR1 (0.32) ALOX5APFEN1FPR2TUBB1FGFR1
SCHEMBL14765704 0.92 FGFR1 (0.32) ALOX5APFEN1FPR2TUBB1FGFR1
SCHEMBL12739357 0.91 FPR2 (0.32) ALOX5APFEN1FPR2TUBB1FGFR1
SCHEMBL12734384 0.91 FPR2 (0.32) ALOX5APFEN1FPR2TUBB1FGFR1
SCHEMBL12716435 0.91 NFE2L2 (0.35) ALOX5APFEN1FPR2TUBB1
SCHEMBL12822086 0.91 NFE2L2 (0.35) ALOX5APFEN1FPR2TUBB1
SCHEMBL12739342 0.90 FPR2 (0.31) ALOX5APFEN1FPR2TUBB1FGFR1
SCHEMBL12734370 0.90 FPR2 (0.31) ALOX5APFEN1FPR2TUBB1FGFR1
SCHEMBL12739355 0.89 FPR2 (0.33) ALOX5APFEN1FPR2TUBB1

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 ALOX5AP 1673/4885FEN1 3340/4885FPR2 589/4885

“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.