SCHEMBL12739293

SCHEMBL12739293

COc1ccc(/C=C/C2CCC(c3ccc(-c4ccc(CO)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.34
▸ FFAR1 O14842 3/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ NR1H4 Q96RI1 2/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ KLKB1 P03952 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
SCHEMBL12739286 0.93 CYP1A1 (0.37) CYP1A1CYP1A2CYP1B1USP30FFAR1
SCHEMBL12734336 0.93 ERN1 (0.34) CYP1A1CYP1A2CYP1B1USP30FFAR1
SCHEMBL12823688 0.92 CYP1A2 (0.41) CYP1A1CYP1A2CYP1B1USP30ALOX5AP
SCHEMBL12739303 0.91 FFAR4 (0.34) FFAR1ALOX5APFEN1NR1H4FFAR4
SCHEMBL12739282 0.88 HTR2A (0.38) CYP1A1CYP1A2CYP1B1FFAR1KCNH2
SCHEMBL13586590 0.87 LMNA (0.35) CYP1A1CYP1A2CYP1B1FFAR1ALOX5AP
SCHEMBL12733954 0.86 ALOX5AP (0.38) FFAR1ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL13586594 0.85 CYP1A1 (0.30) CYP1A1CYP1A2CYP1B1FFAR1
SCHEMBL12739169 0.85 ERN1 (0.34) ALOX5APFEN1ERN1
SCHEMBL12734227 0.85 ERN1 (0.34) ALOX5APFEN1ERN1

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 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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