SCHEMBL12196518

SCHEMBL12196518

CCCCOc1ccc(C2CCC(C3CCC(C(=O)Oc4ccc(-c5ccc(C)c(F)c5F)c(F)c4F)CC3)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ HPGD P15428 4/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PPARD Q03181 2/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PDE10A Q9Y233 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
SCHEMBL11933230 0.97 SCN9A (0.36) SCN9AALOX5APFEN1HPGDNPC1
SCHEMBL11933374 0.97 SCN9A (0.36) SCN9AALOX5APFEN1HPGDNPC1
SCHEMBL14922581 0.95 SCN9A (0.37) SCN9AALOX5APFEN1HPGDNPC1
SCHEMBL12197322 0.93 SCN9A (0.38) SCN9AALOX5APFEN1HPGDNPC1
SCHEMBL12197143 0.92 HPGD (0.39) ALOX5APFEN1HPGDRAB9AMEN1
SCHEMBL15381542 0.92 SCN9A (0.39) SCN9AALOX5APFEN1HPGDNPC1
SCHEMBL15381610 0.92 SCN9A (0.39) SCN9AALOX5APFEN1HPGDNPC1
SCHEMBL15381795 0.90 HPGD (0.40) SCN9AALOX5APFEN1HPGDNPC1
SCHEMBL15381710 0.90 HPGD (0.40) SCN9AALOX5APFEN1HPGDNPC1
SCHEMBL11933370 0.89 HPGD (0.40) ALOX5APFEN1HPGDRAB9AMEN1

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 2120/4885ALOX5AP 1073/4885FEN1 3903/4885

“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.

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