SCHEMBL12908112

SCHEMBL12908112

COc1ccc(OCc2ccc(-c3ccc(C4CO4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ FPR2 P25090 5/20 0.36
▸ NAAA Q02083 5/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.34
▸ BTK Q06187 2/20 0.34
▸ SYK P43405 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ APP P05067 1/20 0.33
▸ FFAR1 O14842 1/20 0.33

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
SCHEMBL13586315 0.93 SYK (0.39) NAAASYKAPPFFAR1
SCHEMBL12823910 0.93 SYK (0.39) NAAASYKAPPFFAR1
SCHEMBL12823856 0.91 FEN1 (0.35) MRGPRX4FPR2ALOX5APFEN1FFAR4
SCHEMBL12822902 0.91 FEN1 (0.35) MRGPRX4FPR2ALOX5APFEN1FFAR4
SCHEMBL13586221 0.89 FFAR4 (0.38) MRGPRX4FPR2ALOX5APFEN1FFAR4
SCHEMBL12821314 0.89 FFAR4 (0.38) MRGPRX4FPR2ALOX5APFEN1FFAR4
SCHEMBL12994783 0.88 FFAR4 (0.35) MRGPRX4FPR2ALOX5APFEN1FFAR4
SCHEMBL12821296 0.87 FEN1 (0.37) FPR2NAAAALOX5APFEN1FFAR4
SCHEMBL12822361 0.87 FEN1 (0.37) FPR2NAAAALOX5APFEN1FFAR4
SCHEMBL12822782 0.86 ALOX5AP (0.32) ALOX5APFEN1FFAR4

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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — US disclosed
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 — — EP 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 MRGPRX4 4652/4885FPR2 2267/4885NAAA 3989/4885

“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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