Doxorubicin

Doxorubicin

SCHEMBL147967

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(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1

nearest known ligand 0.95

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 0.95
MEN1 O00255 10/20 0.95
THRB P10828 10/20 0.95
KMT2A Q03164 10/20 0.95
BLM P54132 9/20 0.95
RECQL P46063 8/20 0.95
SMN1; SMN2 Q16637 7/20 0.95
MAPT P10636 7/20 0.95
HIF1A Q16665 6/20 0.95
TDP1 Q9NUW8 6/20 0.95
BRCA1 P38398 6/20 0.95
MAPK1 P28482 5/20 0.95
HTT P42858 5/20 0.95
CHRM1 P11229 4/20 0.95
KDM4E B2RXH2 4/20 0.95
ALDH1A1 P00352 4/20 0.95
STAT6 P42226 4/20 0.95
TBXA2R P21731 3/20 0.95
ABCB1 P08183 3/20 0.95
NR3C1 P04150 3/20 0.95

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 SCHEMBL18263941 1.00 MEN1 (0.95) MEN1THRBKMT2ABLMRECQL
Epirubicin SCHEMBL1030848 1.00 MEN1 (0.95) MEN1THRBKMT2ABLMRECQL
Doxorubicin SCHEMBL28086230 0.99 MEN1 (0.95) MEN1THRBKMT2ABLMRECQL
Doxorubicin SCHEMBL23753547 0.99 MEN1 (0.95) MEN1THRBKMT2ABLMRECQL
Doxorubicin SCHEMBL4019285 0.99 MEN1 (0.95) MEN1THRBKMT2ABLMRECQL
Doxorubicin SCHEMBL28183637 0.99 MEN1 (0.92) MEN1THRBKMT2ABLMRECQL
Doxorubicin SCHEMBL13858183 0.99 MEN1 (0.92) MEN1THRBKMT2ABLMRECQL
Epirubicin SCHEMBL94408 0.99 MEN1 (0.92) MEN1THRBKMT2ABLMRECQL
Epirubicin SCHEMBL8183120 0.98 MEN1 (0.92) MEN1THRBKMT2ABLMRECQL
Epirubicin SCHEMBL21184881 0.97 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059240-A1 METHOD FOR PREPARATION OF MICELLAR HYBRID NANOPARTICLES FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS AND COMPOSITIONS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-08 US claimed
EP-1313762-B1 SUPPRESSOR GENE LUDWIG INST CANCER RES (CH) 2006-07-05 EP claimed
WO-2023121753-A1 BIOMOLECULE-POLYMER-PHARMACEUTICAL AGENT CONJUGATES FOR DELIVERING THE PHARMACEUTICAL AGENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-29 WO disclosed
US-10646524-B2 Modified oncolytic vaccinia viruses expressing a cytokine and a car-boxylesterase and methods of use thereof SILLAJEN, INC. (KR) 2020-05-12 US disclosed
US-20180271921-A1 MODIFIED ONCOLYTIC VACCINIA VIRUSES EXPRESSING A CYTOKINE AND A CAR- BOXYLESTERASE AND METHODS OF USE THEREOF SILLAJEN, INC. (KR) 2018-09-27 US disclosed
WO-2017046037-A1 NANOPARTICLES LOADED WITH ACTIVE INGREDIENTS, THEIR PROCESS OF PREPARATION AND THEIR USES ONXEO (FR) 2017-03-23 WO disclosed
US-20170071866-A1 NANOPARTICLES LOADED WITH ACTIVE INGREDIENTS, THEIR PROCESS OF PREPARATION, AND THEIR USES ONXEO S.A. (FR) 2017-03-16 US disclosed
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 US disclosed
WO-2016077858-A1 BIOMARKERS OF DISEASE AND THEIR USE IN DISEASE DETECTION AND MANAGEMENT THE UNIVERSITY OF QUEENSLAND (AU) 2016-05-26 WO disclosed
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 US disclosed
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 US disclosed
EP-1242438-A1 CYTOTOXIC AGENTS COMPRISING MODIFIED DOXORUBICINS AND DAUNORUBICINS AND THEIR THERAPEUTIC USE Immunogen, Inc. (US) 2002-09-25 EP disclosed
US-6423491-B1 DETECTING PREFERENTIAL GASTROINTESTINAL CANCER IN HUMANS; OBTAIN SAMPLE OF GASTROINTESTINAL TISSUE, SCREEN NUCLELOTIDE SEQUENCES FOR PREFERENTIAL MUTATION, PRESENCE OF MUTATION INDICATES DISORDER UNIVERSITY OF IOWA RESEARCH FOUNDATION 2002-07-23 US disclosed
EP-1135485-A2 PROMOTION OR INHIBITION OF ANGIOGENESIS AND CARDIOVASCULARIZATION Genentech, Inc. (US) 2001-09-26 EP disclosed
WO-2001049698-A1 CYTOTOXIC AGENTS COMPRISING MODIFIED DOXORUBICINS AND DAUNORUBICINS AND THEIR THERAPEUTIC USE IMMUNOGEN, INC. (US) 2001-07-12 WO disclosed
WO-2000032221-A2 PROMOTION OR INHIBITION OF ANGIOGENESIS AND CARDIOVASCULARIZATION GENENTECH, INC. (US) 2000-06-08 WO disclosed
US-5989869-A CULTURING GENETICALLY ENGINEERED STREPTOMYCES IN WHICH GENE INVOLVED IN GLYCOSYLATION HAS BEEN DEACTIVATED PHARMACIA & UPJOHN S.P.A. (IT) 1999-11-23 US disclosed
EP-0915983-A1 PROCESS FOR PREPARING DOXORUBICIN Pharmacia & Upjohn S.p.A. (IT) 1999-05-19 EP disclosed
US-5817321-A ANTICANCER CHEMOTHERAPUTIC AGENT, POLYETHER BLOCK COPOLYMER SUPRATEK PHARMA, INC. (CA) 1998-10-06 US disclosed
WO-1998039458-A1 PROCESS FOR PREPARING DOXORUBICIN PHARMACIA & UPJOHN S.P.A. (IT) 1998-09-11 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 (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-20170071866-A1 NANOPARTICLES LOADED WITH ACTIVE INGREDIENTS, THEIR PROCESS OF PREPARATION, AND THEIR USES MPO, EXOSC9, CD63 TOP2A 1164/4885MEN1 3260/4885THRB 4853/4885
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD TOP2A 2007/4885MEN1 4846/4885THRB 3639/4885
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD TOP2A 2007/4885MEN1 4846/4885THRB 3639/4885
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD TOP2A 2007/4885MEN1 4846/4885THRB 3639/4885

“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.