SCHEMBL10303237

SCHEMBL10303237

CC(O)c1ccc(OCC2CCC(c3ccc(C4CO4)cc3F)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ FFAR1 O14842 7/20 0.35
▸ GPR119 Q8TDV5 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ SCN9A Q15858 4/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ SCN5A Q14524 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
SCHEMBL12994811 0.89 CNR2 (0.34) HTR2AHTR2CHTR2BFFAR1CNR2
SCHEMBL13586372 0.88 FFAR1 (0.36) HTR2AHTR2CHTR2BFFAR1GPR119
SCHEMBL12907337 0.87 CNR2 (0.35) HTR2AHTR2CHTR2BFFAR1CNR2
SCHEMBL12836501 0.86 FFAR4 (0.34) FFAR1GPR119CNR2FPR2
SCHEMBL13586561 0.86 FPR2 (0.34) HTR2AHTR2CHTR2BFFAR1GPR119
SCHEMBL12836499 0.86 FPR2 (0.33) HTR2AHTR2CHTR2BFFAR1CNR2
SCHEMBL10303384 0.84 GSTO1 (0.36) —
SCHEMBL13653969 0.84 FFAR1 (0.42) FFAR1GPR119CNR2
SCHEMBL13586463 0.84 CNR2 (0.37) HTR2AHTR2CHTR2BCNR2SCN9A
SCHEMBL12836034 0.83 FEN1 (0.34) CNR2FPR2

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
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 HTR2A 1823/4885HTR2C 770/4885HTR2B 1904/4885

“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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