Doxorubicin

Doxorubicin

SCHEMBL57097

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.Cl.Cl

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
SMN1; SMN2 Q16637 6/20 1.00
HIF1A Q16665 6/20 1.00
TDP1 Q9NUW8 6/20 1.00
BRCA1 P38398 6/20 1.00
MAPT P10636 6/20 1.00
S100A4 P26447 6/20 1.00
MAPK1 P28482 4/20 1.00
USP2 O75604 4/20 1.00
CYP3A4 P08684 4/20 1.00
STAT6 P42226 4/20 1.00
PAX8 Q06710 4/20 1.00
KDM4E B2RXH2 3/20 1.00
ALDH1A1 P00352 3/20 1.00
ABCB1 P08183 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
Doxorubicin SCHEMBL317301 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL9335136 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL6251124 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Doxorubicin SCHEMBL3242 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL571906 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL317302 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL6423994 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL21669731 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL21669733 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Doxorubicin SCHEMBL5324652 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702481-B2 Anti-cub domain-containing protein 1 (CDCP1) antibodies, antibody drug conjugates, and methods of use thereof BLUEFIN BIOMEDICINE, INC. (US) 2023-07-18 US disclosed
CN-115087638-A PRMT5 inhibitor 默沙东公司 2022-09-20 CN disclosed
EP-2971010-B1 FORMULATION AND DELIVERY OF MODIFIED NUCLEOSIDE, NUCLEOTIDE, AND NUCLEIC ACID COMPOSITIONS MODERNATX INC (US) 2020-06-10 EP disclosed
US-8694555-B2 Processing drug data DRUGLOGIC, INC. (US) 2014-04-08 US disclosed
US-20120209864-A1 PROCESSING DRUG DATA QED SOLUTIONS, INC. 2012-08-16 US disclosed
CN-102471351-A 2-carboxamide cyclosemicarbazides as PI3K inhibitors NOVARTIS AG 2012-05-23 CN disclosed
US-8131769-B2 Processing drug data DRUGLOGIC, INC. (US) 2012-03-06 US disclosed
CN-102065886-A Modified hyaluronidases and their use in the treatment of hyaluronic acid related diseases and disorders HALOZYME INC 2011-05-18 CN disclosed
US-7846431-B2 Soluble glycosaminoglycanases and methods of preparing and using soluble glycosaminoglycanases HALOZYME, INC. (US) 2010-12-07 US disclosed
US-20100125615-A1 PROCESSING DRUG DATA QED SOLUTIONS, INC. (US) 2010-05-20 US disclosed
CN-101360740-A Aminopyrimidines useful as kinase inhibitors VERTEX PHARMA (US) 2009-02-04 CN disclosed
CN-101132783-A Apogossypolone and the uses thereof UNIV MICHIGAN (US) 2008-02-27 CN disclosed
US-20020188465-A1 Processing drug data DRUGLOGIC, INC. 2002-12-12 US disclosed
US-5922350-A DEHYDRATION IN PRESENCE OF SUGARS PRESENT AT A PROTECTIVECONCENTRATION ON BOTH INSIDE AND OUTSIDE SURFACES; LIPOSOMESHAVE ION CONCENTRATION GRADIENT CAPABLE OF GENERATINGTRANSMEMBER POTENTIAL TO LOAD CHARGED MATERIAL THE LIPOSOME COMPANY, INC. (US) 1999-07-13 US disclosed
US-5837279-A DEHYDRATION IN PRESENCE OF PROTECTIVE SUGARS, STORAGE, REHYDRATION; LOADING CHARGED MATERIALS THE LIPSOME COMPANY, INC. (US) 1998-11-17 US disclosed
US-5736155-A LOADING IONIZABLE ANTITUMOR AGENTS USING TRANSMEMBRANE POTENTIALS REDUCING RATE OF DRUG RELEASE THE LIPOSOME COMPANY, INC. (US) 1998-04-07 US disclosed
US-5672688-A STABILITY KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1997-09-30 US disclosed
US-5652274-A PYRUVATES, FATTY ACIDS JOHNSON & JOHNSON CONSUMER COMPANIES, INC 1997-07-29 US disclosed
US-5578320-A PREPARING A COMPOSITION OF UNILAMELLAR LIPOSOMES WITH A PROTECTIVE SUGAR AND REMOVING WATER THE LIPOSOME COMPANY, INC. (US) 1996-11-26 US disclosed
US-4880635-A PROTECTIVE SUGARS, MEMBRANES THE LIPOSOME COMPANY, INC. (US) 1989-11-14 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 (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-11702481-B2 Anti-cub domain-containing protein 1 (CDCP1) antibodies, antibody drug conjugates, and methods of use thereof CD2BP2, CDCA2, CSPP1 TOP2A 2308/4885MEN1 1477/4885KMT2A 4396/4885

“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.