SCHEMBL12908334

SCHEMBL12908334

CCc1ccc(OCC2CCC(c3ccc(C4CO4)cc3F)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ SCN9A Q15858 9/20 0.35
▸ SCN5A Q14524 2/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ OPRL1 P41146 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
SCHEMBL12994394 0.92 HTR2A (0.35) CNR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL12907045 0.92 CNR2 (0.35) CNR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL13586463 0.89 CNR2 (0.37) CNR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL12822882 0.87 HTR2A (0.36) CNR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL13586295 0.86 FPR2 (0.37) CNR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL13586562 0.85 FPR2 (0.34) CNR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL12907043 0.84 FPR2 (0.34) CNR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL10303237 0.83 HTR2A (0.35) CNR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL12907753 0.83 HTR2C (0.35) CNR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL10302375 0.83 FFAR1 (0.38) CNR2SCN9A

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 CNR2 2145/4885HTR2A 1823/4885HTR2C 770/4885

“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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