SCHEMBL1813176

SCHEMBL1813176

CCCCCC1CCC(c2ccccc2-c2ccc(B(O)O)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
PTGS2 P35354 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CHRM3 P20309 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
SCHEMBL8961293 0.87 GAA (0.37) FFAR4GAAMAPTPTGS2CHRM3
SCHEMBL9061916 0.87 GAA (0.37) FFAR4GAAMAPTPTGS2CHRM3
SCHEMBL8453248 0.83 GAA (0.37) GAAMAPTPTGS2CHRM3
SCHEMBL8453242 0.83 GAA (0.37) GAAMAPTPTGS2CHRM3
SCHEMBL12622943 0.83 CYP2C9 (0.40) GAAMAPT
SCHEMBL8390144 0.81 OPRL1 (0.34) FFAR4GAAMAPTOPRM1OPRK1
SCHEMBL263717 0.80 PTGS2 (0.39) GAAMAPTPTGS2
SCHEMBL28366793 0.80 CYP2C9 (0.40) GAAMAPT
SCHEMBL30309465 0.80 CYP2C9 (0.40) GAAMAPT
SCHEMBL224911 0.80 ESR2 (0.42) GAAMAPTPTGS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116522-B1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY JNC CORP (JP) 2013-09-18 EP disclosed
US-7951433-B2 Five-ring liquid crystal compound having CF2O bonding group, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-05-27 US disclosed
EP-2116522-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY Chisso Corporation (JP) 2009-11-11 EP 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-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CFAP20, KIF20A, KIF20B FFAR4 1646/4885GAA 4613/4885MAPT 864/4885

“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.