SCHEMBL17490457

SCHEMBL17490457

CC1CCC(c2ccc(-c3ccc(CCc4ccc(-c5ccc(OC(F)(F)F)c(F)c5)c(F)c4)c(F)c3F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.37
NAAA Q02083 1/20 0.37
GRM2 Q14416 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
FASN P49327 1/20 0.33
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
APP P05067 2/20 0.31
PDE2A O00408 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
EPHX2 P34913 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
P2RX7 Q99572 2/20 0.30
KCNH2 Q12809 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
SCHEMBL17487972 0.88 CTSK (0.35) CTSKNAAAGRM2FFAR4CYP3A4
SCHEMBL17490454 0.88 CTSK (0.39) CTSKNAAAGRM2FFAR4HCRTR1
SCHEMBL17487695 0.86 FFAR4 (0.34) CTSKNAAAFFAR4CYP2C9HCRTR1
SCHEMBL17490344 0.86 FASN (0.36) GRM2FFAR4CYP3A4CYP2C9FASN
SCHEMBL17487873 0.83 CTSK (0.38) CTSKNAAAGRM2HCRTR1HCRTR2
SCHEMBL17487707 0.83 FFAR4 (0.38) FFAR4CYP3A4CYP2C9FASNAPP
SCHEMBL17210770 0.82 CTSK (0.39) CTSKNAAAGRM2CYP3A4CYP2C9
SCHEMBL17487824 0.82 HCRTR1 (0.37) CTSKNAAAGRM2FFAR4HCRTR1
SCHEMBL17487689 0.82 CTSK (0.37) CTSKNAAAGRM2HCRTR1HCRTR2
SCHEMBL10014267 0.81 FASN (0.39) CTSKNAAAGRM2CYP3A4CYP2C9

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-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 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-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 CTSK 2692/4885NAAA 4794/4885GRM2 3737/4885

“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.