SCHEMBL12823368

SCHEMBL12823368

COc1ccc(OC(=O)c2ccc(-c3ccc(C4CCC(OC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.39
▸ FEN1 P39748 3/20 0.39
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ CPS1 P31327 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ FASN P49327 1/20 0.34
▸ NAAA Q02083 1/20 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
SCHEMBL12717817 0.93 KMT2A (0.38) ALOX5APFEN1KMT2AMAPTMEN1
SCHEMBL12719730 0.93 ALOX5AP (0.37) ALOX5APFEN1KMT2AMAPTCPS1
SCHEMBL14767193 0.92 ALOX5AP (0.41) ALOX5APFEN1MAPTFFAR1TP53
SCHEMBL12742595 0.90 ALOX5AP (0.40) ALOX5APFEN1KMT2AMAPTCPS1
SCHEMBL12742579 0.89 ALOX5AP (0.40) ALOX5APFEN1KMT2AMAPTCPS1
SCHEMBL12823423 0.89 LMNA (0.39) ALOX5APFEN1KMT2AMAPTCPS1
SCHEMBL12823371 0.88 ALOX5AP (0.42) ALOX5APFEN1KMT2AMAPT
SCHEMBL12822670 0.88 ALOX5AP (0.42) ALOX5APFEN1KMT2AMAPT
SCHEMBL13586474 0.88 ALOX5AP (0.39) ALOX5APFEN1MAPTFFAR1
SCHEMBL13586512 0.85 ALOX5AP (0.42) ALOX5APFEN1FFAR1NAAA

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 ALOX5AP 1673/4885FEN1 3340/4885KMT2A 1271/4885

“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.

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