SCHEMBL9607882

SCHEMBL9607882

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(O)C(C)O1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.71
▸ KMT2A Q03164 9/20 0.71
▸ THRB P10828 8/20 0.71
▸ BLM P54132 7/20 0.71
▸ RECQL P46063 6/20 0.71
▸ TOP2A P11388 5/20 0.71
▸ TDP1 Q9NUW8 5/20 0.71
▸ HIF1A Q16665 5/20 0.71
▸ SMN1; SMN2 Q16637 5/20 0.71
▸ BRCA1 P38398 5/20 0.71
▸ MAPT P10636 4/20 0.71
▸ MAPK1 P28482 4/20 0.71
▸ HTT P42858 4/20 0.71
▸ PTGS1 P23219 3/20 0.71
▸ CHRM1 P11229 3/20 0.71
▸ TBXA2R P21731 3/20 0.71
▸ KDM4E B2RXH2 3/20 0.71
▸ ALDH1A1 P00352 3/20 0.71
▸ ABCB1 P08183 3/20 0.71
▸ FYN P06241 2/20 0.71

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
SCHEMBL17404468 1.00 MEN1 (0.71) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17929837 0.95 MEN1 (0.67) MEN1KMT2ATHRBBLMRECQL
SCHEMBL20456899 0.94 S100A4 (0.63) MEN1KMT2ATHRBBLMRECQL
SCHEMBL18351643 0.92 MEN1 (0.60) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17706678 0.92 MEN1 (0.77) MEN1KMT2ATHRBBLMRECQL
SCHEMBL30465123 0.91 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
SCHEMBL10014019 0.91 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17929849 0.91 MEN1 (0.64) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17929838 0.91 MEN1 (0.70) MEN1KMT2ATHRBBLMRECQL
SCHEMBL9607884 0.91 MEN1 (0.70) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105950690-A Enzymatic process for the regioselective manufacturing of N-Fmoc-doxorubicin-14-O-dicarboxylic acid mono esters 阿特纳赞塔里斯有限公司 2016-09-21 — — CN disclosed
WO-2016116335-A1 ENZYMATIC PROCESS FOR THE REGIOSELECTIVE MANUFACTURING OF N-FMOC-DOXORUBICIN-14-O-DICARBOXYLIC ACID MONO ESTERS AETERNA ZENTARIS GMBH (DE) 2016-07-28 — — WO disclosed
US-20160208298-A1 ENZYMATIC PROCESS FOR THE REGIOSELECTIVE MANUFACTURING OF N-FMOC-DOXORUBICIN-14-O-DICARBOXYLIC ACID MONO ESTERS AETERNA ZENTARIS GMBH (DE) 2016-07-21 — — US disclosed
US-20160208298-A1 ENZYMATIC PROCESS FOR THE REGIOSELECTIVE MANUFACTURING OF N-FMOC-DOXORUBICIN-14-O-DICARBOXYLIC ACID MONO ESTERS AETERNA ZENTARIS GMBH (DE) 2016-07-21 — — US disclosed
EP-3045540-A1 Enzymatic process for the regioselective manufacturing of N-Fmoc-doxorubicin-14-O-dicarboxylic acid mono esters Æterna Zentaris GmbH (DE) 2016-07-20 — — EP disclosed
US-20150038429-A1 ETOPOSIDE AND DOXORUBICIN CONJUGATES FOR DRUG DELIVERY ANGIOCHEM INC. (CA) 2015-02-05 — — US disclosed
US-20150038429-A1 ETOPOSIDE AND DOXORUBICIN CONJUGATES FOR DRUG DELIVERY ANGIOCHEM INC. (CA) 2015-02-05 — — US disclosed
US-8828925-B2 Etoposide and doxorubicin conjugates for drug delivery ANGIOCHEM INC. (CA) 2014-09-09 — — US disclosed
US-8828925-B2 Etoposide and doxorubicin conjugates for drug delivery ANGIOCHEM INC. (CA) 2014-09-09 — — US disclosed
US-20120135914-A1 ETOPOSIDE AND DOXORUBICIN CONJUGATES FOR DRUG DELIVERY ANGIOCHEM INC. (CA) 2012-05-31 — — US disclosed
US-20120135914-A1 ETOPOSIDE AND DOXORUBICIN CONJUGATES FOR DRUG DELIVERY ANGIOCHEM INC. (CA) 2012-05-31 — — US disclosed
EP-0441218-A2 Anthracycline-glycosyl prodrugs, process for their preparation and their use in combination with functionalised tumour-specific enzyme conjugates BEHRINGWERKE Aktiengesellschaft (DE) 1991-08-14 — — EP 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 (2 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-20120135914-A1 ETOPOSIDE AND DOXORUBICIN CONJUGATES FOR DRUG DELIVERY GLS, AQP4, ABCB1 MEN1 582/4885KMT2A 527/4885THRB 4818/4885
US-20150038429-A1 ETOPOSIDE AND DOXORUBICIN CONJUGATES FOR DRUG DELIVERY GLS, AQP4, ABCB1 MEN1 582/4885KMT2A 527/4885THRB 4818/4885

“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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