SCHEMBL11933334

SCHEMBL11933334

CCCOc1ccc(-c2ccc(OCC3CCC(c4ccc(C)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.39
FFAR1 O14842 6/20 0.38
PPARD Q03181 5/20 0.38
FPR2 P25090 2/20 0.36
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
BRD4 O60885 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL11933118 0.95 FFAR4 (0.41) FFAR4FFAR1PPARDTLR9TLR8
SCHEMBL11933187 0.94 FFAR4 (0.38) FFAR4FFAR1PPARDFPR2ALOX5AP
SCHEMBL11933333 0.93 FFAR1 (0.40) FFAR4FFAR1PPARDFPR2TLR9
SCHEMBL11933127 0.90 FPR2 (0.39) FFAR4FFAR1PPARDFPR2ALOX5AP
SCHEMBL11933188 0.90 FFAR4 (0.40) FFAR4FFAR1PPARDALOX5APFEN1
SCHEMBL10009236 0.89 FFAR4 (0.42) FFAR4FFAR1PPARDFPR2TLR9
SCHEMBL10009235 0.89 FFAR4 (0.42) FFAR4FFAR1PPARDFPR2TLR9
SCHEMBL15381727 0.88 FFAR4 (0.40) FFAR4FFAR1PPARDFPR2TLR9
SCHEMBL11933186 0.87 FFAR1 (0.37) FFAR4FFAR1PPARDFPR2ALOX5AP
SCHEMBL11933287 0.86 FFAR4 (0.35) FFAR4FFAR1PPARDFPR2GABRA1

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-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 FFAR4 1038/4885FFAR1 113/4885PPARD 1968/4885

“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.