SCHEMBL9979192

SCHEMBL9979192

CCCC1CCC(C2CCC(CCc3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)OC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
SLC6A2 P23975 6/20 0.31
SLC6A4 P31645 6/20 0.31
SLC6A3 Q01959 6/20 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
SCHEMBL12024147 0.96 CTSL (0.33) CTSLCTSSCTSK
SCHEMBL12023763 0.94 CTSL (0.35) CTSLCTSSCTSKSLC6A2SLC6A4
SCHEMBL12024289 0.92 CTSL (0.35) CTSLCTSSCTSKSLC6A2SLC6A4
SCHEMBL12023738 0.91 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL12023737 0.90 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL15343848 0.88 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL12024167 0.88 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL12024138 0.88 CTSL (0.35) CTSLCTSSCTSKSLC6A2SLC6A4
SCHEMBL12023884 0.87 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL12023727 0.86 CTSL (0.32) CTSLCTSSCTSKSLC6A2SLC6A4

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 7 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
WO-2010095506-A1 TETRACYCLIC LIQUID-CRYSTALLINE COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2010-08-26 WO 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 CTSL 2047/4885CTSS 2365/4885CTSK 1741/4885

“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.