SCHEMBL12907337

SCHEMBL12907337

CC(O)c1ccc(OCC2CCC(c3ccc(C4CO4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.35
▸ FPR2 P25090 1/20 0.34
▸ FFAR1 O14842 5/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ CNR1 P21554 2/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ SCN9A Q15858 1/20 0.32

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
SCHEMBL12836034 0.96 FEN1 (0.34) CNR2FPR2CNR1ALOX5APFEN1
SCHEMBL12836492 0.96 FEN1 (0.34) CNR2FPR2CNR1ALOX5APFEN1
SCHEMBL12223313 0.93 ALOX5AP (0.33) CNR2FPR2CNR1ALOX5APFEN1
SCHEMBL10302846 0.90 CNR2 (0.40) CNR2FFAR1HTR2AHTR2CHTR2B
SCHEMBL12223501 0.90 CNR2 (0.40) CNR2FFAR1HTR2AHTR2CHTR2B
SCHEMBL13586280 0.88 FFAR1 (0.35) CNR2FPR2FFAR1HTR2AHTR2C
SCHEMBL12836501 0.88 FFAR4 (0.34) CNR2FPR2FFAR1ALOX5APFEN1
SCHEMBL12907786 0.88 CNR2 (0.35) CNR2FPR2FFAR1HTR2AHTR2C
SCHEMBL10303237 0.87 HTR2A (0.35) CNR2FPR2FFAR1HTR2AHTR2C
SCHEMBL11939934 0.87 FFAR4 (0.35) CNR2FPR2FFAR1ALOX5APFEN1

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 3 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
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 — — 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 CNR2 2145/4885FPR2 2267/4885FFAR1 681/4885

“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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