SCHEMBL29929580

SCHEMBL29929580

COc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
POLB P06746 3/20 1.00
RAB9A P51151 9/20 0.68
MAPT P10636 9/20 0.68
NPC1 O15118 8/20 0.68
SMN1; SMN2 Q16637 8/20 0.68
TP53 P04637 8/20 0.68
ALDH1A1 P00352 7/20 0.68
CYP3A4 P08684 7/20 0.68
HPGD P15428 7/20 0.68
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
CYP2C9 P11712 5/20 0.68
CYP2C19 P33261 5/20 0.68
MAOA P21397 4/20 0.68
MAOB P27338 4/20 0.68
HDAC6 Q9UBN7 4/20 0.68
MAPK1 P28482 3/20 0.68
AKR1B10 O60218 3/20 0.68
LMNA P02545 3/20 0.68

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
SCHEMBL2146848 1.00 KDM4E (1.00) KDM4EPOLBRAB9AMAPTNPC1
SCHEMBL26145339 0.92 KDM4E (0.85) KDM4EPOLBRAB9AMAPTNPC1
SCHEMBL28788159 0.90 KDM4E (0.83) KDM4EPOLBRAB9AMAPTNPC1
SCHEMBL7195852 0.86 KDM4E (0.75) KDM4EPOLBRAB9AMAPTNPC1
SCHEMBL28425295 0.86 KDM4E (0.75) KDM4EPOLBRAB9AMAPTNPC1
SCHEMBL30266625 0.85 KDM4E (0.74) KDM4EPOLBRAB9AMAPTNPC1
SCHEMBL29099767 0.85 KDM4E (0.74) KDM4EPOLBRAB9AMAPTNPC1
Genistein SCHEMBL18241115 0.85 MEN1 (0.89) KDM4EPOLBRAB9AMAPTNPC1
SCHEMBL8496501 0.84 KDM4E (0.73) KDM4EPOLBRAB9AMAPTNPC1
SCHEMBL16226838 0.84 KDM4E (0.73) KDM4EPOLBRAB9AMAPTNPC1

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
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 WO claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 WO disclosed