SCHEMBL12196829

SCHEMBL12196829

CCCCOc1ccc(-c2ccc(C3CCC(CCC4CCC(c5ccc(C)c(F)c5F)CC4)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 5/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ ALOX5AP P20292 3/20 0.32
▸ FEN1 P39748 3/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL14922542 0.94 SCN9A (0.36) OPRL1SCN9AALOX5APFEN1FPR2
SCHEMBL11933122 0.94 SCN9A (0.36) SCN9AALOX5APFEN1FPR2ESR1
SCHEMBL11933328 0.92 FEN1 (0.37) SCN9AALOX5APFEN1CNR1CNR2
SCHEMBL11933180 0.92 FEN1 (0.37) SCN9AALOX5APFEN1CNR1CNR2
SCHEMBL12197375 0.92 OPRL1 (0.34) OPRL1SCN9AESR1PPARGPTGES
SCHEMBL14922559 0.92 FPR2 (0.35) OPRL1SCN9AALOX5APFEN1FPR2
SCHEMBL11933281 0.92 CTSL (0.33) OPRL1SCN9AALOX5APFEN1
SCHEMBL11933156 0.92 CTSL (0.33) OPRL1SCN9AALOX5APFEN1
SCHEMBL12196592 0.91 SCN9A (0.34) SCN9AALOX5APFEN1FPR2ESR1
SCHEMBL19985491 0.91 GAA (0.35) OPRL1SCN9AALOX5APFEN1FPR2

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 OPRL1 1746/4885SCN9A 2120/4885ALOX5AP 1073/4885

“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