SCHEMBL6853266

SCHEMBL6853266

CC(C)(C)c1cccc(-c2ccccc2)c1-c1ccccc1-c1conn1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.32
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 1/20 0.31
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL28715813 0.83 MEN1 (0.37) SCN9AMEN1KMT2AHSD11B1ENPP3
SCHEMBL58582 0.79 RAB9A (0.36) MEN1KMT2AENPP3ENPP1
SCHEMBL8998624 0.79 RAB9A (0.39) MEN1KMT2AENPP3ENPP1
SCHEMBL1043365 0.79 TRPA1 (0.40) PTPN5SCN9AMEN1KMT2AENPP3
SCHEMBL7491303 0.79 MEN1 (0.36) MEN1KMT2A
SCHEMBL6135309 0.79 GPR55 (0.39) ENPP3ENPP1
SCHEMBL2200428 0.77 GPR55 (0.38) ENPP3ENPP1
SCHEMBL348600 0.76 TRPA1 (0.35) SCN9AMEN1KMT2AENPP3ENPP1
SCHEMBL6723504 0.75 MEN1 (0.33) MEN1KMT2A
SCHEMBL27781320 0.74 CA2 (0.41) PTPN5ENPP1

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
WO-2022030265-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING ELEMENT 国立大学法人京都大学 2022-02-10 WO disclosed
WO-2021153168-A1 COMPOUND, LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING ELEMENT 国立大学法人京都大学 2021-08-05 WO disclosed
WO-2021117809-A1 LIGHT-EMITTING MATERIAL, OLED, AND COMPOUND 国立大学法人京都大学 2021-06-17 WO disclosed
US-6777111-B1 HEAT ENDURANCE; LOW CRYSTALLINITY; EMPLOYING CONDENSED RING DERIVATIVE KABUSHIKI KAISHA CHUO KENKYUSHO (JP) 2004-08-17 US disclosed