Deacetoxy-7-Oxogedunin

Deacetoxy-7-Oxogedunin

SCHEMBL12998441

CC1(C)C(=O)C=C[C@@]2(C)C1CC(=O)[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 14/20 1.00
▸ USP2 O75604 7/20 1.00
▸ MAPT P10636 6/20 1.00
▸ TP53 P04637 4/20 1.00
▸ SLCO1B3 Q9NPD5 2/20 0.72
▸ SLCO1B1 Q9Y6L6 2/20 0.72
▸ SMN1; SMN2 Q16637 5/20 0.70
▸ LMNA P02545 2/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.64
▸ ABCB1 P08183 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ PTPN1 P18031 1/20 0.53
▸ MAPK1 P28482 1/20 0.49

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
Deacetoxy-7-Oxogedunin SCHEMBL20639417 1.00 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SLCO1B3
Obacunone SCHEMBL20733839 0.88 CYP3A4 (0.79) CYP3A4USP2MAPTTP53SLCO1B3
Obacunone SCHEMBL18324167 0.88 CYP3A4 (0.79) CYP3A4USP2MAPTTP53SLCO1B3
Obacunone SCHEMBL564187 0.88 CYP3A4 (0.79) CYP3A4USP2MAPTTP53SLCO1B3
SCHEMBL10019467 0.88 CYP3A4 (0.78) CYP3A4USP2MAPTTP53SLCO1B3
SCHEMBL17616918 0.85 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SLCO1B3
SCHEMBL10019473 0.84 SLCO1B3 (1.00) CYP3A4USP2MAPTTP53SLCO1B3
Deacetylgedunin SCHEMBL10019480 0.82 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SLCO1B3
SCHEMBL12998355 0.80 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SLCO1B3
SCHEMBL30379934 0.80 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SLCO1B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9289412-B2 Role of limonoid compounds as neuroprotective agents THE JOHNS HOPKINS UNIVERSITY (US) 2016-03-22 — — US disclosed
US-9289412-B2 Role of limonoid compounds as neuroprotective agents THE JOHNS HOPKINS UNIVERSITY (US) 2016-03-22 — — US disclosed
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 — — US disclosed
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 — — US disclosed
US-20100056617-A1 Role of limonoid compounds as neuroprotective agents THE JOHNS HOPKINS UNIVERSITY (US) 2010-03-04 — — US disclosed
US-20100056617-A1 Role of limonoid compounds as neuroprotective agents THE JOHNS HOPKINS UNIVERSITY (US) 2010-03-04 — — US disclosed
US-20080090897-A1 Compositions and methods for neuroprotectin THE JOHNS HOPKINS UNIVERSITY (US) 2008-04-17 — — US disclosed
US-20080090897-A1 Compositions and methods for neuroprotectin THE JOHNS HOPKINS UNIVERSITY (US) 2008-04-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100056617-A1 Role of limonoid compounds as neuroprotective agents NLN, SMN1; SMN2, CLN6 CYP3A4 4706/4885USP2 3918/4885MAPT 109/4885
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 CYP3A4 4800/4885USP2 1384/4885MAPT 459/4885
US-20080090897-A1 Compositions and methods for neuroprotectin GAP43, NLN, NEFM CYP3A4 4638/4885USP2 2335/4885MAPT 540/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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