SCHEMBL12196471

SCHEMBL12196471

CCCCOc1ccc(C2CCC(C3CCC(COc4ccc(-c5ccc(C)c(F)c5F)c(F)c4F)CC3)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 7/20 0.35
ALOX5AP P20292 5/20 0.35
CNR2 P34972 8/20 0.34
CNR1 P21554 2/20 0.32
SCN9A Q15858 1/20 0.32
FFAR1 O14842 1/20 0.31
PPARD Q03181 1/20 0.31
PDE10A Q9Y233 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 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
SCHEMBL11933180 0.97 FEN1 (0.37) FEN1ALOX5APCNR2CNR1SCN9A
SCHEMBL11933328 0.97 FEN1 (0.37) FEN1ALOX5APCNR2CNR1SCN9A
SCHEMBL14922516 0.95 FEN1 (0.38) FEN1ALOX5APCNR2CNR1SCN9A
SCHEMBL12196592 0.94 SCN9A (0.34) FEN1ALOX5APSCN9A
SCHEMBL14922551 0.93 FEN1 (0.37) FEN1ALOX5APCNR2CNR1SCN9A
SCHEMBL10302327 0.93 ALOX5AP (0.35) FEN1ALOX5APCNR2CNR1SCN9A
SCHEMBL12196501 0.93 ALOX5AP (0.35) FEN1ALOX5APCNR2CNR1SCN9A
SCHEMBL2509012 0.92 FEN1 (0.36) FEN1ALOX5APCNR2CNR1SCN9A
SCHEMBL12196873 0.92 CNR2 (0.36) FEN1ALOX5APCNR2CNR1SCN9A
SCHEMBL15381768 0.92 FEN1 (0.40) FEN1ALOX5APCNR2CNR1SCN9A

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 FEN1 3903/4885ALOX5AP 1073/4885CNR2 253/4885

“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.