5-Demethylnobiletin

5-Demethylnobiletin

SCHEMBL31237479

COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 1.00
▸ MAPT P10636 4/20 1.00
▸ CYP3A4 P08684 3/20 1.00
▸ MAPK1 P28482 3/20 1.00
▸ USP2 O75604 1/20 1.00
▸ LMNA P02545 1/20 1.00
▸ ELANE P08246 1/20 1.00
▸ KDM4E B2RXH2 3/20 0.81
▸ MEN1 O00255 2/20 0.81
▸ KMT2A Q03164 2/20 0.81
▸ ABCB1 P08183 1/20 0.81
▸ HPGD P15428 1/20 0.81
▸ HSD17B10 Q99714 1/20 0.81
▸ ABCG2 Q9UNQ0 1/20 0.81
▸ PPARG P37231 2/20 0.75
▸ GAA P10253 2/20 0.74
▸ POLB P06746 1/20 0.74
▸ RECQL P46063 1/20 0.74
▸ L3MBTL1 Q9Y468 1/20 0.74
▸ CYP1A1 P04798 1/20 0.70

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
5-Demethylnobiletin SCHEMBL1764120 1.00 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4MAPK1USP2
5-Demethylnobiletin SCHEMBL29606981 1.00 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4MAPK1USP2
SCHEMBL17963714 0.95 ALDH1A1 (0.91) ALDH1A1MAPTCYP3A4MAPK1USP2
SCHEMBL25263457 0.93 ALDH1A1 (0.86) ALDH1A1MAPTCYP3A4MAPK1USP2
SCHEMBL1764664 0.93 ALDH1A1 (0.86) ALDH1A1MAPTCYP3A4MAPK1USP2
SCHEMBL10997058 0.91 ALDH1A1 (0.88) ALDH1A1MAPTCYP3A4MAPK1USP2
SCHEMBL1764085 0.91 ALDH1A1 (0.84) ALDH1A1MAPTCYP3A4MAPK1USP2
SCHEMBL25383379 0.90 ALDH1A1 (0.82) ALDH1A1MAPTCYP3A4MAPK1USP2
SCHEMBL25225757 0.90 ALDH1A1 (0.82) ALDH1A1MAPTCYP3A4MAPK1USP2
Nobiletin SCHEMBL22092292 0.90 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4MAPK1USP2

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
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
Send feedback