SCHEMBL29928538

SCHEMBL29928538

COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc(O)c1OC

nearest known ligand 0.88

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.88
▸ CYP3A4 P08684 2/20 0.88
▸ MAPT P10636 4/20 0.74
▸ MAPK1 P28482 2/20 0.74
▸ USP2 O75604 1/20 0.74
▸ LMNA P02545 1/20 0.74
▸ ELANE P08246 1/20 0.74
▸ PPARG P37231 2/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ POLB P06746 3/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ GAA P10253 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ RECQL P46063 2/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67

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
SCHEMBL2137291 1.00 ALDH1A1 (0.88) ALDH1A1CYP3A4MAPTMAPK1USP2
Gardenin SCHEMBL1764114 0.94 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPTMAPK1USP2
SCHEMBL26110312 0.93 ALDH1A1 (0.75) ALDH1A1CYP3A4MAPTMAPK1USP2
SCHEMBL2139264 0.92 ALDH1A1 (0.78) ALDH1A1CYP3A4MAPTMAPK1USP2
SCHEMBL29929179 0.92 ALDH1A1 (0.78) ALDH1A1CYP3A4MAPTMAPK1USP2
SCHEMBL30267770 0.87 ACHE (0.75) ALDH1A1CYP3A4MAPTKDM4EPOLB
SCHEMBL28985289 0.87 ACHE (0.75) ALDH1A1CYP3A4MAPTKDM4EPOLB
SCHEMBL1764085 0.86 ALDH1A1 (0.84) ALDH1A1CYP3A4MAPTMAPK1USP2
SCHEMBL10997058 0.86 ALDH1A1 (0.88) ALDH1A1CYP3A4MAPTMAPK1USP2
5-Demethylnobiletin SCHEMBL29606981 0.85 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPTMAPK1USP2

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
US-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 — — US claimed
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
Send feedback