Deacetylgedunin

Deacetylgedunin

SCHEMBL10019480

CC1(C)C(=O)C=C[C@@]2(C)C1C[C@@H](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 13/20 1.00
▸ USP2 O75604 10/20 1.00
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ MAPT P10636 6/20 1.00
▸ TP53 P04637 4/20 1.00
▸ LMNA P02545 3/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ KMT2A Q03164 1/20 1.00
▸ NPSR1 Q6W5P4 1/20 0.77
▸ SLCO1B3 Q9NPD5 3/20 0.67
▸ SLCO1B1 Q9Y6L6 3/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ TDP1 Q9NUW8 1/20 0.59
▸ MIF P14174 1/20 0.59
▸ APEX1 P27695 1/20 0.56

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
Gedunin SCHEMBL17603575 0.87 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL12998444 0.87 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL10019479 0.87 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL14197009 0.87 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL16731398 0.87 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL23134885 0.87 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL598969 0.87 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
SCHEMBL12239950 0.87 CYP3A4 (0.77) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL12664640 0.87 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
SCHEMBL10019467 0.86 CYP3A4 (0.78) CYP3A4USP2SMN1; SMN2MAPTTP53

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 12 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-8114619-B2 Methods for diagnosis and optimizing treatment of multiple sclerosis THE JOHNS HOPKINS UNIVERSITY (US) 2012-02-14 — — US disclosed
US-8114619-B2 Methods for diagnosis and optimizing treatment of multiple sclerosis THE JOHNS HOPKINS UNIVERSITY (US) 2012-02-14 — — 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-20100137420-A1 Methods and Compositions for Diagnosis and Treatment of Multiple Sclerosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-03 — — US disclosed
US-20100137420-A1 Methods and Compositions for Diagnosis and Treatment of Multiple Sclerosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-03 — — 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 (4 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 3918/4885SMN1; SMN2 2/4885
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 CYP3A4 4800/4885USP2 1384/4885SMN1; SMN2 210/4885
US-20080090897-A1 Compositions and methods for neuroprotectin GAP43, NLN, NEFM CYP3A4 4638/4885USP2 2335/4885SMN1; SMN2 17/4885
US-20100137420-A1 Methods and Compositions for Diagnosis and Treatment of Multiple Sclerosis CTSB, CSTB, CTSG CYP3A4 4717/4885USP2 877/4885SMN1; SMN2 329/4885

“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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