SCHEMBL12739286

SCHEMBL12739286

CCc1ccc(-c2ccc(C3CCC(/C=C/c4ccc(OC)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ KCNH2 Q12809 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.32
▸ USP7 Q93009 1/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ ALOX5AP P20292 3/20 0.31
▸ FEN1 P39748 3/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ ERN1 O75460 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
SCHEMBL12739293 0.93 CYP1A1 (0.37) CYP1A1CYP1A2CYP1B1KCNH2USP30
SCHEMBL12823688 0.92 CYP1A2 (0.41) CYP1A1CYP1A2CYP1B1USP30ALOX5AP
SCHEMBL12739284 0.92 FFAR4 (0.32) FFAR1ALOX5APFEN1TP53
SCHEMBL12739282 0.90 HTR2A (0.38) CYP1A1CYP1A2CYP1B1KCNH2FFAR1
SCHEMBL13586590 0.89 LMNA (0.35) CYP1A1CYP1A2CYP1B1FFAR1ALOX5AP
SCHEMBL13586594 0.87 CYP1A1 (0.30) CYP1A1CYP1A2CYP1B1FFAR1
SCHEMBL12739268 0.87 — —
SCHEMBL12733946 0.86 USP7 (0.37) CYP1A1CYP1A2CYP1B1USP7NAAA
SCHEMBL12739267 0.85 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL14766266 0.85 FFAR4 (0.36) FFAR1ALOX5APFEN1HCRTR1HCRTR2

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 CYP1A1 857/4885CYP1A2 650/4885CYP1B1 891/4885

“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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