SCHEMBL12197170

SCHEMBL12197170

CCCCOc1ccc(C2=CCC(c3ccc(C(=O)OC4CCC(c5ccc(C)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.34
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ GRM2 Q14416 1/20 0.30

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
SCHEMBL12197182 0.95 SCN9A (0.31) SCN9A
SCHEMBL12197158 0.94 MAPT (0.32) —
SCHEMBL11933543 0.91 SCN9A (0.32) SCN9A
SCHEMBL11933506 0.91 SCN9A (0.32) SCN9A
SCHEMBL14922605 0.91 SCN9A (0.33) SCN9A
SCHEMBL11933258 0.90 SCN9A (0.37) SCN9AALOX5APFEN1GRM2
SCHEMBL11933349 0.90 SCN9A (0.37) SCN9AALOX5APFEN1GRM2
SCHEMBL12196644 0.89 SCN9A (0.33) SCN9AALOX5APFEN1
SCHEMBL12196622 0.89 SCN9A (0.33) SCN9AALOX5APFEN1
SCHEMBL11933500 0.89 CNR1 (0.32) SCN9A

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-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 — — 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 SCN9A 2120/4885ALOX5AP 1073/4885FEN1 3903/4885

“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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