SCHEMBL31260281

SCHEMBL31260281

COc1ccc2c(c1-c1ccc(-c3c(OC)ccc4c3OC(C)(C)C=C4)s1)OC(C)(C)C=C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
PDE4D Q08499 2/20 0.40
CA13 Q8N1Q1 1/20 0.40
ODC1 P11926 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
IDO1 P14902 2/20 0.38
HIF1A Q16665 2/20 0.37
EPAS1 Q99814 2/20 0.37
CA2 P00918 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
PTPN1 P18031 1/20 0.33

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
SCHEMBL4454398 0.77 ODC1 (0.50) CA12CA1CA7CA9PDE4D
SCHEMBL11015336 0.77 ODC1 (0.44) CA12CA1CA7CA9PDE4D
SCHEMBL31260257 0.72 KDM4E (0.42) CA12CA1CA7CA9PDE4D
SCHEMBL10508366 0.69 ODC1 (0.45) CA12CA1CA7CA9ODC1
SCHEMBL10507292 0.69 ODC1 (0.42) CA12CA1CA7CA9PDE4D
SCHEMBL27890686 0.68 KDM4E (0.59) CA12CA1CA7CA9PDE4D
SCHEMBL31260270 0.68 PDE4D (0.41) PDE4DKDM4E
SCHEMBL31260268 0.67 PDE4D (0.40) PDE4D
SCHEMBL10507552 0.67 ODC1 (0.43) CA12CA1CA7CA9PDE4D
SCHEMBL10510188 0.66 NR1H4 (0.41) CA12CA1CA7CA9PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4474446-B1 ELECTROCHROMIC COMPOUNDS, COMPOSITIONS AND DEVICES COMPRISING THE SAME ESSILOR INT (FR) 2025-12-17 EP disclosed
WO-2024251948-A1 ELECTROCHROMIC COMPOUNDS, COMPOSITIONS AND DEVICES COMPRISING THE SAME ESSILOR INTERNATIONAL (FR) 2024-12-12 WO disclosed
EP-4474446-A1 ELECTROCHROMIC COMPOUNDS, COMPOSITIONS AND DEVICES COMPRISING THE SAME Essilor International (FR) 2024-12-11 EP disclosed