Gedunin

Gedunin

SCHEMBL598969

CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C

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
▸ SMN1; SMN2 Q16637 8/20 1.00
▸ MAPT P10636 5/20 1.00
▸ TP53 P04637 4/20 1.00
▸ LMNA P02545 3/20 1.00
▸ NPSR1 Q6W5P4 1/20 1.00
▸ MIF P14174 1/20 0.79
▸ USP2 O75604 10/20 0.77
▸ MEN1 O00255 1/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ TDP1 Q9NUW8 2/20 0.76
▸ MAPK1 P28482 1/20 0.71
▸ SLCO1B3 Q9NPD5 3/20 0.70
▸ SLCO1B1 Q9Y6L6 3/20 0.70
▸ APEX1 P27695 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
Gedunin SCHEMBL10019479 1.00 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53LMNA
Gedunin SCHEMBL16731398 1.00 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53LMNA
Gedunin SCHEMBL17603575 1.00 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53LMNA
Gedunin SCHEMBL12664640 1.00 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53LMNA
Gedunin SCHEMBL14197009 1.00 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53LMNA
Gedunin SCHEMBL23134885 1.00 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53LMNA
Gedunin SCHEMBL12998444 1.00 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53LMNA
SCHEMBL17612264 0.92 CYP3A4 (0.85) CYP3A4SMN1; SMN2MAPTTP53LMNA
SCHEMBL15604116 0.92 CYP3A4 (0.85) CYP3A4SMN1; SMN2MAPTTP53LMNA
SCHEMBL16727974 0.92 CYP3A4 (0.85) CYP3A4SMN1; SMN2MAPTTP53LMNA

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 543 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260076366-A1 SYNERGISTIC PESTICIDAL COMPOSITIONS AND METHODS FOR DELIVERY OF ACTIVE INGREDIENTS 0903608 B C LTD (CA) 2026-03-19 — — US claimed
EP-4642465-A1 A CANCER ASSOCIATED FIBROBLAST (CAF) INHIBITOR FOR USE WITH AN ALTERNATING ELECTRIC FIELD IN A METHOD OF TREATING DISEASES SUCH AS CANCER Novocure GmbH (CH) 2025-11-05 — — EP claimed
EP-4580612-A1 USE OF NRF2 ACTIVATORS FOR THE TREATMENT OF CEREBRAL SMALL VESSEL DISEASE Institut National de la Santé et de la Recherche Médicale (FR) 2025-07-09 — — EP claimed
CN-119235819-A Multifunctional bionic nano-drug and preparation method and application thereof 燕山大学 2025-01-03 — — CN claimed
CN-118311257-A Target marker for diagnosis or treatment of cervical neuroendocrine cancer and application thereof 安徽师范大学 2024-07-09 — — CN claimed
WO-2024141952-A1 A CANCER ASSOCIATED FIBROBLAST (CAF) INHIBITOR FOR USE WITH AN ALTERNATING ELECTRIC FIELD IN A METHOD OF TREATING DISEASES SUCH AS CANCER NOVOCURE GMBH (CH) 2024-07-04 — — WO claimed
US-20240216403-A1 METHODS AND COMPOSITIONS FOR INHIBITING FIBROBLAST ACTIVATION BIOPHARMA CREDIT PLC (GB) 2024-07-04 — — US claimed
WO-2024047248-A1 USE OF NRF2 ACTIVATORS FOR THE TREATMENT OF CEREBRAL SMALL VESSEL DISEASE Institut National de la Santé et de la Recherche Médicale (FR) 2024-03-07 — — WO claimed
US-20240041038-A1 INSECTICIDAL COMBINATIONS Vestaron Corporation (US) 2024-02-08 — — US claimed
US-20230392214-A1 Systems and Methods for Assessing Mutational Burden of Neoplasms And Associated Treatments Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-12-07 — — US claimed
US-20100298280-A1 Compounds for the Modulation of Huntingtin Aggregation, Methods and Means for Identifying Such Compounds KIOSCHIS-SCHNEIDER PETRA 2010-11-25 — — US claimed
WO-2010053573-A2 SCREEN FOR INHIBITORS OF FILOVIRUS AND USES THEREFOR KAWAOKA YOSHIHIRO (US) 2010-05-14 — — WO claimed
EP-2164865-A2 COMPOUNDS FOR THE MODULATION OF HUNTINGTIN AGGREGATION, METHODS AND MEANS FOR IDENTIFYING SUCH COMPOUNDS Hochschule Mannheim (DE) 2010-03-24 — — EP claimed
CN-101330921-A An extract from xylocarpus useful for the treatment of diabetes and dyslipidemia COUNCIL SCIENT IND RES (IN) 2008-12-24 — — CN claimed
WO-2008151833-A2 COMPOUNDS FOR THE MODULATION OF HUNTINGTIN AGGREGATION, METHODS AND MEANS FOR IDENTIFYING SUCH COMPOUNDS HOCHSCHULE MANNHEIM (DE) 2008-12-18 — — WO claimed
EP-1940435-A2 AN EXTRACT FROM XYLOCARPUS USEFUL FOR THE TREATMENT OF DIABETES AND DYSLIPIDEMIA Council of Scientific and Industrial Research (IN) 2008-07-09 — — EP claimed
WO-2007117466-A2 CELASTROL, GEDUNIN, AND DERIVATIVES THEREOF AS HSP90 INHIBITORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-10-18 — — WO claimed
US-20070178179-A1 Pharmaceutical composition for treatment of diabetes and dyslipidemia COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-08-02 — — US claimed
WO-2007031830-A2 AN EXTRACT FROM XYLOCARPUS USEFUL FOR THE TREATMENT OF DIABETES AND DYSLIPIDEMIA COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-03-22 — — WO claimed
CN-1359623-A Nim extract mixture as agricultural chemical and its preparing process YINGDELI BIO TECHNOLOGY DEV CO (CN) 2002-07-24 — — CN claimed

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-20100298280-A1 Compounds for the Modulation of Huntingtin Aggregation, Methods and Means for Identifying Such Compounds HTT, PSMG3, HYPK CYP3A4 4834/4885SMN1; SMN2 910/4885MAPT 21/4885
US-20260076366-A1 SYNERGISTIC PESTICIDAL COMPOSITIONS AND METHODS FOR DELIVERY OF ACTIVE INGREDIENTS TACR3, GSTO1, TIAL1 CYP3A4 1293/4885SMN1; SMN2 1799/4885MAPT 2320/4885
US-20070178179-A1 Pharmaceutical composition for treatment of diabetes and dyslipidemia LPL, LIPC, PNLIP CYP3A4 1491/4885SMN1; SMN2 4253/4885MAPT 3045/4885

“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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