SCHEMBL25844440

SCHEMBL25844440

COc1ccc(C2(c3ccccc3)C=Cc3c4c(c5cc(OC)c(OC)cc5c3O2)-c2ccc(C)cc2C4(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ATM Q13315 1/20 0.31
CES2 O00748 2/20 0.30
EIF4A1 P60842 2/20 0.30
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 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
SCHEMBL25844438 0.96 CA12 (0.31) MEN1KMT2ACES2
SCHEMBL25844437 0.95 CA12 (0.32) CES2
SCHEMBL25844693 0.92 TP53 (0.33) MAPTTP53MEN1KMT2A
SCHEMBL15458340 0.92 CA12 (0.30)
SCHEMBL25844009 0.92 TP53 (0.34) MAPTTP53MEN1KMT2A
SCHEMBL29453311 0.91 MEN1 (0.32) MAPTMEN1KMT2ANPSR1ATM
SCHEMBL1046559 0.91 MEN1 (0.32) MAPTMEN1KMT2ANPSR1ATM
SCHEMBL25605494 0.90 SYK (0.32) MEN1KMT2ANPSR1ATM
SCHEMBL25529761 0.90 TP53 (0.32) MAPTTP53MEN1KMT2AEDNRB
SCHEMBL25844692 0.90 KDM4E (0.34) MAPTTP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227717-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-07-20 US disclosed