SCHEMBL12196773

SCHEMBL12196773

CCCCOc1ccc(C2CCC(c3ccc(CCC4CCC(c5ccc(C)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
OPRL1 P41146 5/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
LTC4S Q16873 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
ESR1 P03372 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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
SCHEMBL10302060 1.00 SCN9A (0.32) SCN9AOPRL1CNR1CNR2LTC4S
SCHEMBL10302061 0.97 CNR2 (0.33) SCN9AOPRL1CNR1CNR2LTC4S
SCHEMBL11933156 0.96 CTSL (0.33) SCN9AOPRL1FFAR4
SCHEMBL11933281 0.96 CTSL (0.33) SCN9AOPRL1FFAR4
SCHEMBL10302064 0.96 CNR2 (0.34) OPRL1CNR1CNR2ESR1
SCHEMBL10302062 0.96 CNR2 (0.34) OPRL1CNR1CNR2ESR1
SCHEMBL10302063 0.96 CNR2 (0.34) OPRL1CNR1CNR2ESR1
SCHEMBL14922511 0.94 SCN9A (0.35) SCN9AOPRL1CNR1CNR2PPARG
SCHEMBL12196728 0.93 CTSL (0.31) FFAR4
SCHEMBL14922539 0.92 SCN9A (0.34) SCN9ACNR1CNR2PPARGPPARD

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 2120/4885OPRL1 1746/4885CNR1 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.