SCHEMBL26513013

SCHEMBL26513013

COc1ccc(C2(c3cc(-c4ccccc4)cc(-c4ccccc4)n3)C=Cc3c4c(c5ccccc5c3O2)-c2ccccc2C4(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 1/20 0.36
MAPT P10636 5/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
FLT3 P36888 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MCL1 Q07820 1/20 0.32
TP53 P04637 1/20 0.31
GPR84 Q9NQS5 2/20 0.31
LTB4R Q15722 2/20 0.31
ACP1 P24666 2/20 0.31
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL26512645 0.94 KDM4E (0.32) ACACAMAPTHPGDKDM4EALDH1A1
SCHEMBL26513010 0.94 ACACA (0.39) ACACAMAPTHPGDKDM4EALDH1A1
SCHEMBL26513007 0.92 ACACA (0.36) ACACAMAPTHPGDKDM4EALDH1A1
SCHEMBL26512796 0.90 ACACA (0.35) ACACAMAPTHPGDKDM4EALDH1A1
SCHEMBL26513004 0.89 ACACA (0.38) ACACAMAPTHPGDKDM4EALDH1A1
SCHEMBL26513001 0.89 BRD4 (0.41) ACACAMAPTHPGDKDM4EALDH1A1
SCHEMBL26513005 0.89 BRD4 (0.41) ACACAMAPTHPGDKDM4EALDH1A1
SCHEMBL26512643 0.87 KDM4E (0.37) ACACAMAPTHPGDKDM4EALDH1A1
SCHEMBL25604650 0.87 GPR84 (0.34) ACACAMAPTHPGDKDM4EALDH1A1
SCHEMBL25844403 0.87 GPR84 (0.34) ACACAMAPTHPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed