SCHEMBL10302846

SCHEMBL10302846

CCOc1ccc(C2CCC(COc3ccc(C(C)O)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.40
▸ FFAR1 O14842 5/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 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
SCHEMBL12223501 1.00 CNR2 (0.40) CNR2FFAR1PDE4APDE4BPDE4C
SCHEMBL11939352 0.96 CNR2 (0.37) CNR2ALOX5APFEN1CNR1
SCHEMBL11939324 0.96 CNR2 (0.37) CNR2ALOX5APFEN1CNR1
SCHEMBL10303398 0.93 TP53 (0.34) ALOX5APFEN1
SCHEMBL12223403 0.93 TP53 (0.34) ALOX5APFEN1
SCHEMBL12907337 0.90 CNR2 (0.35) CNR2FFAR1PDE4APDE4BPDE4C
SCHEMBL12224640 0.89 CNR2 (0.41) CNR2FFAR1PDE4BSCN9AALOX5AP
SCHEMBL10303172 0.89 HTR2C (0.35) CNR2FFAR1PDE4APDE4BPDE4C
SCHEMBL1243236 0.89 HTR2A (0.40) CNR2SCN9AALOX5APFEN1CNR1
SCHEMBL14922658 0.89 HTR2A (0.40) CNR2SCN9AALOX5APFEN1CNR1

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-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

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 2145/4885FFAR1 681/4885PDE4A 3506/4885

“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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