SCHEMBL9979371

SCHEMBL9979371

CCOc1ccc(-c2ccc(CC(=O)O)c(F)c2F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
RET P07949 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38
CXCL8 P10145 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PTGDR2 Q9Y5Y4 8/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL9899219 0.94 GLA (0.46) RXRARXRBRXRGGLAL3MBTL1
SCHEMBL13243902 0.84 CTSS (0.44) L3MBTL1CTSSCTSKCTSLRET
SCHEMBL10009328 0.81 CTSS (0.40) L3MBTL1CTSSCTSKCTSLRET
SCHEMBL16855852 0.80 L3MBTL1 (0.42) L3MBTL1CTSSCTSKCTSLHSD17B10
SCHEMBL15329906 0.79 RXRA (0.40) RXRARXRBRXRGGLAL3MBTL1
SCHEMBL29532573 0.79 HSD17B10 (0.56) HSD17B10TSHRCXCL8PDE4BPDE4D
SCHEMBL2139124 0.79 HSD17B10 (0.56) HSD17B10TSHRCXCL8PDE4BPDE4D
SCHEMBL12579513 0.78 CTSS (0.56) L3MBTL1CTSSCTSKCTSLHSD17B10
SCHEMBL10010296 0.78 CTSS (0.40) L3MBTL1CTSSCTSKCTSLRET
SCHEMBL9979091 0.77 CTSS (0.49) L3MBTL1CTSSCTSKCTSLRET

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
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

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 RXRA 1373/4885RXRB 2169/4885RXRG 2116/4885

“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.