SCHEMBL12733954

SCHEMBL12733954

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 4/20 0.38
▸ FEN1 P39748 4/20 0.38
▸ FFAR1 O14842 5/20 0.38
▸ NAAA Q02083 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ KDM1B Q8NB78 2/20 0.35
▸ USP7 Q93009 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ APP P05067 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL12733946 0.91 USP7 (0.37) ALOX5APFEN1FFAR1NAAAFFAR4
SCHEMBL12716345 0.90 ALOX5AP (0.40) ALOX5APFEN1CYP11B1CYP11B2KDM1A
SCHEMBL12733955 0.89 FFAR4 (0.40) ALOX5APFEN1FFAR1FFAR4
SCHEMBL12740361 0.88 NAAA (0.43) ALOX5APFEN1FFAR1NAAAFFAR4
SCHEMBL12739910 0.88 FFAR4 (0.37) ALOX5APFEN1FFAR1FFAR4
SCHEMBL12736836 0.88 NAAA (0.39) ALOX5APFEN1FFAR1NAAAFFAR4
SCHEMBL12736186 0.87 FFAR1 (0.41) ALOX5APFEN1FFAR1
SCHEMBL12740788 0.87 FFAR1 (0.41) FFAR1
SCHEMBL12735203 0.87 FFAR4 (0.37) ALOX5APFEN1FFAR1FFAR4
SCHEMBL12734336 0.86 ERN1 (0.34) ALOX5APFEN1FFAR1NAAAFFAR4

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 3340/4885FFAR1 247/4885

“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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