SCHEMBL12734336

SCHEMBL12734336

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.34
▸ FFAR1 O14842 3/20 0.33
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP1B1 Q16678 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
▸ NR1H4 Q96RI1 1/20 0.30
▸ USP30 Q70CQ3 1/20 0.30
▸ KLKB1 P03952 1/20 0.30
▸ USP7 Q93009 1/20 0.30
▸ CNR1 P21554 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) ERN1FFAR1ALOX5APFEN1CYP1A1
SCHEMBL12716200 0.92 CYP1A2 (0.36) ERN1ALOX5APFEN1CYP1A1CYP1A2
SCHEMBL12734337 0.91 FFAR4 (0.34) FFAR1ALOX5APFEN1FFAR4NR1H4
SCHEMBL12734330 0.88 HTR2A (0.38) FFAR1FFAR4
SCHEMBL12716419 0.87 CYP1A1 (0.34) ERN1ALOX5APFEN1CYP1A1CYP1A2
SCHEMBL13586337 0.87 LMNA (0.35) ERN1FFAR1ALOX5APFEN1CYP11B1
SCHEMBL12733954 0.86 ALOX5AP (0.38) FFAR1ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL10301839 0.85 CYP1A1 (0.35) FFAR1CYP1A1CYP1A2CYP1B1USP30
SCHEMBL12739286 0.85 CYP1A1 (0.37) ERN1FFAR1ALOX5APFEN1CYP1A1
SCHEMBL12734227 0.85 ERN1 (0.34) ERN1ALOX5APFEN1

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 ERN1 1334/4885FFAR1 247/4885ALOX5AP 1673/4885

“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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