SCHEMBL21867948

SCHEMBL21867948

CC1(C)c2ccccc2C2(c3ccccc3Oc3ccc(-c4ncc5ccccc5n4)cc32)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.43
MAOA P21397 6/20 0.32
MAOB P27338 6/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.31
USP2 O75604 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
ALOX15 P16050 2/20 0.30
CYP2C19 P33261 2/20 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
SCHEMBL21868254 0.95 CYP1A2 (0.43) CYP1A2MAOAMAOBHTT
SCHEMBL21477992 0.86 CYP1A2 (0.40) CYP1A2
SCHEMBL21868071 0.82 CYP1A2 (0.46) CYP1A2MAOAMAOBLMNAKDM4E
SCHEMBL24293099 0.82 CYP1A2 (0.46) CYP1A2MAOAMAOBLMNAKDM4E
SCHEMBL21477801 0.82 CYP1A2 (0.41) CYP1A2LMNANPC1MAPTRAB9A
SCHEMBL26458128 0.80 CYP1A2 (0.41) CYP1A2MAOAMAOBLMNANPC1
SCHEMBL24293189 0.80 MEN1 (0.45) CYP1A2LMNAKDM4EALDH1A1MAPT
SCHEMBL24293180 0.79 MEN1 (0.38) CYP1A2LMNAKDM4ENPC1ALDH1A1
SCHEMBL20932386 0.79 CYP1A2 (0.41) CYP1A2MAOAMAOBLMNAKDM4E
SCHEMBL26458170 0.78 CYP1A2 (0.39) CYP1A2MAOAMAOBLMNAKDM4E

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-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
US-20220123218-A1 ORGANIC ELECTROLUMINESCENT DEVICE LG CHEM, LTD. (KR) 2022-04-21 US disclosed
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 WO disclosed