Doxorubicin

Doxorubicin

SCHEMBL570680

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP2A

The experimentally established mechanism targets of Doxorubicin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A known ✓ P11388 5/20 1.00
▸ MEN1 O00255 9/20 1.00
▸ KMT2A Q03164 9/20 1.00
▸ THRB P10828 8/20 1.00
▸ BLM P54132 8/20 1.00
▸ RECQL P46063 7/20 1.00
▸ HIF1A Q16665 6/20 1.00
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ TDP1 Q9NUW8 6/20 1.00
▸ BRCA1 P38398 6/20 1.00
▸ MAPT P10636 6/20 1.00
▸ MAPK1 P28482 4/20 1.00
▸ STAT6 P42226 4/20 1.00
▸ HTT P42858 4/20 1.00
▸ CHRM1 P11229 3/20 1.00
▸ TBXA2R P21731 3/20 1.00
▸ KDM4E B2RXH2 3/20 1.00
▸ ALDH1A1 P00352 3/20 1.00
▸ ABCB1 P08183 3/20 1.00
▸ PTGS1 P23219 3/20 1.00

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
Epirubicin SCHEMBL13863672 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL13575791 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL21184881 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL4100091 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL24421866 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Doxorubicin SCHEMBL3243 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL23365786 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL22403027 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL21914951 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL22291815 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106667911-A Amphiphilic polyurethane self-assembly nanoparticles and preparation and application thereof 东华大学 2017-05-17 — — CN claimed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US claimed
CN-111212647-B Dihydro oxadiazinones 拜耳股份有限公司 2024-05-14 — — CN disclosed
US-20240148740-A1 COMBINATION OF AN AHR INHIBITOR WITH A PDX INHIBITOR OR DOXORUBICINE PAHR THERAPEUTICS, INC. 2024-05-09 — — US disclosed
WO-2024004656-A1 EFFECT OF INHIBITING IMMUNE-RELATED ADVERSE EVENT 国立大学法人東北大学 2024-01-04 — — WO disclosed
CN-117069786-A Phospholipid derivative, liposome and application thereof 五邑大学 2023-11-17 — — CN disclosed
CN-116848094-A Tertiary amine lipid compounds and uses thereof 华南理工大学 2023-10-03 — — CN disclosed
CN-116761610-A AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-09-15 — — CN disclosed
EP-4236960-A1 COMBINATION OF AN AHR INHIBITOR WITH A PDX INHIBITOR OR DOXORUBICINE Ikena Oncology, Inc. (US) 2023-09-06 — — EP disclosed
WO-2023125184-A1 TERTIARY AMINE LIPID COMPOUND AND USE THEREOF 华南理工大学 2023-07-06 — — WO disclosed
CN-112933046-B Adriamycin prodrug active drug-loaded liposome and preparation method and application thereof 沈阳药科大学 2023-01-24 — — CN disclosed
CN-101163485-A Method for treating advanced ovarian cancer with doxorubicin entrapped in liposomes ALZA CORP (US) 2008-04-16 — — CN disclosed
CN-100367931-C Method of drug loading in liposomes by gradient GILEAD SCIENCES INC (US) 2008-02-13 — — CN disclosed
CN-100367932-C Method of drug loading in liposomes by gradient GILEAD SCIENCES INC (US) 2008-02-13 — — CN disclosed
EP-1874324-A1 METHOD FOR TREATING ADVANCED OVARIAN CANCER WITH DOXORUBICIN ENTRAPPED IN LIPOSOMES Alza Corporation (US) 2008-01-09 — — EP disclosed
US-20070026060-A1 Method for treating advanced ovarian cancer UNIVERSITY OF ALABAMA 2007-02-01 — — US disclosed
WO-2006116341-A1 METHOD FOR TREATING ADVANCED OVARIAN CANCER WITH DOXORUBICIN ENTRAPPED IN LIPOSOMES ALZA CORPORATION (US) 2006-11-02 — — WO disclosed
CN-1717221-A Method of drug loading in liposomes by gradient GILEAD SCIENCES INC (US) 2006-01-04 — — CN disclosed
CN-1717222-A Method of drug loading in liposomes by gradient GILEAD SCIENCES INC (US) 2006-01-04 — — CN disclosed
WO-1999058111-A1 METHODS OF USING LIPID BASED DRUG DELIVERY VEHICLES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1999-11-18 — — WO 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 (1 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-20240148740-A1 COMBINATION OF AN AHR INHIBITOR WITH A PDX INHIBITOR OR DOXORUBICINE AHR, ARNT, AIPL1 TOP2A 869/4885MEN1 4798/4885KMT2A 104/4885

“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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