SCHEMBL12223491

SCHEMBL12223491

CCCC(O)c1ccc(C2CCC(COc3ccc(C4CCC(c5ccc(OCC)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.38
▸ SCN9A Q15858 3/20 0.36
▸ CNR1 P21554 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ FFAR1 O14842 5/20 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
SCHEMBL10302857 1.00 CNR2 (0.38) CNR2SCN9ACNR1ALOX5APFEN1
SCHEMBL10091383 0.97 CNR2 (0.36) CNR2SCN9ACNR1ALOX5APFEN1
SCHEMBL11939353 0.96 CNR2 (0.36) CNR2SCN9ACNR1ALOX5APFEN1
SCHEMBL11939325 0.96 CNR2 (0.36) CNR2SCN9ACNR1ALOX5APFEN1
SCHEMBL12222905 0.94 CNR2 (0.36) CNR2SCN9ACNR1ALOX5APFEN1
SCHEMBL10303142 0.94 CNR2 (0.36) CNR2SCN9ACNR1ALOX5APFEN1
SCHEMBL10302882 0.93 PDE4A (0.33) —
SCHEMBL12223950 0.93 PDE4A (0.33) —
SCHEMBL12223906 0.93 CNR2 (0.34) CNR2SCN9ACNR1ALOX5APFEN1
SCHEMBL12907786 0.92 CNR2 (0.35) CNR2SCN9ACNR1ALOX5APFEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CNR2 253/4885SCN9A 2120/4885CNR1 307/4885

“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.

Send feedback