SCHEMBL12224640

SCHEMBL12224640

CCOc1ccc(C2CCC(c3ccc(OCC4CCC(c5ccc(C(O)CC)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.41
▸ SCN9A Q15858 3/20 0.37
▸ PDE4B Q07343 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ FFAR1 O14842 4/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 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
SCHEMBL11939167 0.96 CNR2 (0.39) CNR2SCN9AALOX5APFEN1SSTR5
SCHEMBL11939058 0.96 CNR2 (0.39) CNR2SCN9AALOX5APFEN1SSTR5
SCHEMBL10302857 0.91 CNR2 (0.38) CNR2SCN9AALOX5APFEN1FFAR1
SCHEMBL12223491 0.91 CNR2 (0.38) CNR2SCN9AALOX5APFEN1FFAR1
SCHEMBL10302846 0.89 CNR2 (0.40) CNR2SCN9APDE4BALOX5APFEN1
SCHEMBL12223501 0.89 CNR2 (0.40) CNR2SCN9APDE4BALOX5APFEN1
SCHEMBL12223582 0.89 GPR119 (0.37) CNR2SCN9A
SCHEMBL11939218 0.88 FPR2 (0.35) PDE4BALOX5APFEN1
SCHEMBL10091383 0.88 CNR2 (0.36) CNR2SCN9AALOX5APFEN1FFAR1
SCHEMBL12836512 0.88 CNR2 (0.36) CNR2PDE4BALOX5APFEN1SSTR5

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 2120/4885PDE4B 2872/4885

“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