SCHEMBL9978960

SCHEMBL9978960

CCOc1ccc(-c2ccc(CCBr)c(F)c2F)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
CTSL P07711 1/20 0.44
FGFR2 P21802 2/20 0.33
FGFR1 P11362 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
KDM1A O60341 2/20 0.31
FFAR4 Q5NUL3 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7766136 0.93 L3MBTL1 (0.36) CTSSCTSKCTSLFGFR2L3MBTL1
SCHEMBL12579513 0.87 CTSS (0.56) CTSSCTSKCTSLFGFR2FGFR1
SCHEMBL14356142 0.84 CTSS (0.47) CTSSCTSKCTSLFGFR2FGFR1
SCHEMBL7765281 0.83 L3MBTL1 (0.38) CTSSCTSKCTSLFGFR2L3MBTL1
SCHEMBL13243902 0.83 CTSS (0.44) CTSSCTSKCTSLFGFR2FGFR1
SCHEMBL16855852 0.82 L3MBTL1 (0.42) CTSSCTSKCTSLFGFR2FGFR1
SCHEMBL703724 0.81 L3MBTL1 (0.39) FGFR2L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL10009328 0.80 CTSS (0.40) CTSSCTSKCTSLFGFR2FGFR1
SCHEMBL10010296 0.80 CTSS (0.40) CTSSCTSKCTSLFGFR2FGFR1
SCHEMBL10303391 0.79 CTSS (0.49) CTSSCTSKCTSLFGFR2FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389073-B2 Four-ring liquid crystal compound having tetrahydropyran and 2,2′,3,3′-tetrafluorobiphenyl, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-05 US disclosed
US-8389073-B2 Four-ring liquid crystal compound having tetrahydropyran and 2,2′,3,3′-tetrafluorobiphenyl, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-05 US disclosed
US-8389073-B2 Four-ring liquid crystal compound having tetrahydropyran and 2,2′,3,3′-tetrafluorobiphenyl, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-05 US disclosed
US-20110297881-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-08 US disclosed
US-20110297881-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-08 US disclosed
US-20110297881-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-08 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-20110297881-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CCT4, TEC, TCF4 CTSS 2365/4885CTSK 1741/4885CTSL 2047/4885

“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.