SCHEMBL17359255

SCHEMBL17359255

CC1CCC(c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 13/20 0.34
FEN1 P39748 13/20 0.34
DGAT1 O75907 1/20 0.32
RPS6KA3 P51812 3/20 0.32
ESR2 Q92731 1/20 0.31
NOTUM Q6P988 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 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
SCHEMBL17356578 0.98 ALOX5AP (0.35) ALOX5APFEN1DGAT1RPS6KA3ESR2
SCHEMBL17359236 0.94 ALOX5AP (0.33) ALOX5APFEN1RPS6KA3
SCHEMBL17359251 0.88 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL13111383 0.88 DGAT1 (0.36) ALOX5APFEN1DGAT1ESR2
SCHEMBL172422 0.87 ESR2 (0.38) ALOX5APFEN1RPS6KA3ESR2NOTUM
SCHEMBL12437063 0.87 ESR2 (0.38) ALOX5APFEN1RPS6KA3ESR2NOTUM
SCHEMBL19754822 0.87 ESR2 (0.38) ALOX5APFEN1RPS6KA3ESR2NOTUM
SCHEMBL17359301 0.85 ALOX5AP (0.31) ALOX5APFEN1
SCHEMBL17359246 0.84
SCHEMBL19176397 0.84 FEN1 (0.46) ALOX5APFEN1

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-9527870-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-27 US disclosed
US-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 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-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX3, OCIAD1, PIEZO1 ALOX5AP 1818/4885FEN1 1419/4885DGAT1 2087/4885

“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.