SCHEMBL3045751

SCHEMBL3045751

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NBr)C(O)C(C)O1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 6/20 0.83
MEN1 O00255 9/20 0.81
THRB P10828 9/20 0.81
KMT2A Q03164 9/20 0.81
BLM P54132 8/20 0.81
RECQL P46063 7/20 0.81
BRCA1 P38398 6/20 0.81
SMN1; SMN2 Q16637 6/20 0.81
HIF1A Q16665 6/20 0.81
MAPT P10636 6/20 0.81
TDP1 Q9NUW8 6/20 0.81
CYP3A4 P08684 4/20 0.81
USP2 O75604 4/20 0.81
MAPK1 P28482 4/20 0.81
TOP2A P11388 4/20 0.81
HTT P42858 4/20 0.81
CYP1A2 P05177 3/20 0.81
CHRM1 P11229 3/20 0.81
TBXA2R P21731 3/20 0.81
KDM4E B2RXH2 3/20 0.81

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
Bromide SCHEMBL10703620 0.99 S100A4 (0.82) S100A4MEN1THRBKMT2ABLM
SCHEMBL3763974 0.95 S100A4 (0.84) S100A4MEN1THRBKMT2ABLM
SCHEMBL248564 0.94 S100A4 (0.85) S100A4MEN1THRBKMT2ABLM
SCHEMBL22717046 0.94 S100A4 (0.82) S100A4MEN1THRBKMT2ABLM
SCHEMBL15200953 0.94 S100A4 (0.82) S100A4MEN1THRBKMT2ABLM
SCHEMBL319890 0.94 S100A4 (0.84) S100A4MEN1THRBKMT2ABLM
Hydrochloric Acid SCHEMBL331063 0.94 S100A4 (0.84) S100A4MEN1THRBKMT2ABLM
SCHEMBL11563422 0.94 S100A4 (0.84) S100A4MEN1THRBKMT2ABLM
SCHEMBL14164316 0.94 S100A4 (0.84) S100A4MEN1THRBKMT2ABLM
SCHEMBL13943294 0.94 S100A4 (0.84) S100A4MEN1THRBKMT2ABLM

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295119-A2 14-Chlorodaunomycin and process for the preparation of 14-chlorodaunomycin, and process for the preparation of (2\"R)-4'-0-tetrahydropyranyladriamycin ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1988-12-14 EP claimed
CN-106170303-B Pass through the pro-drug of caspase activation 法罗斯根有限公司 2019-10-25 CN disclosed
CN-106170303-A By the prodrug of caspase activation 法罗斯根有限公司 2016-11-30 CN disclosed
CN-101925365-B Nanoparticles of therapeutically active substances with low water solubility CENTRE NAT RECH SCIENT 2013-03-06 CN disclosed
CN-101925365-A Nanoparticles of therapeutically active substances with low water solubility CENTRE NAT RECH SCIENT 2010-12-22 CN disclosed
US-20100035799-A1 METHOD FOR THE SYNTHESIS OF ANTHRACYCLINE-PEPTIDE CONJUGATES UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2010-02-11 US disclosed
US-20050239688-A1 Method for the synthesis of anthracycline-peptide conjugates UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2005-10-27 US disclosed
EP-1525002-A1 METHOD FOR THE SYNTHESIS OF ANTHRACYCLINE-PEPTIDE CONJUGATES UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2005-04-27 EP disclosed
WO-2004011033-A1 METHOD FOR THE SYNTHESIS OF ANTHRACYCLINE-PEPTIDE CONJUGATES UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2004-02-05 WO disclosed
CN-1045621-C Immunoglobulin conjugates ERBA FARMITALIA (IT) 1999-10-13 CN disclosed
US-5798097-A Immunogobulin conjugates PHARMACIA & UPJOHN S.P.A. (IT) 1998-08-25 US disclosed
EP-0358161-A2 Novel anthracycline derivatives and process for production thereof SANRAKU INCORPORATED (JP) 1990-03-14 EP disclosed
EP-0295119-A2 14-Chlorodaunomycin and process for the preparation of 14-chlorodaunomycin, and process for the preparation of (2\"R)-4'-0-tetrahydropyranyladriamycin ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1988-12-14 EP disclosed
CN-88101810-A IMMUNOGLOBULIN CONJUGATES 1988-11-09 CN 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-20100035799-A1 METHOD FOR THE SYNTHESIS OF ANTHRACYCLINE-PEPTIDE CONJUGATES C9, DOHH, THOP1 S100A4 3455/4885MEN1 2035/4885THRB 161/4885
US-20050239688-A1 Method for the synthesis of anthracycline-peptide conjugates C9, DOHH, THOP1 S100A4 3455/4885MEN1 2035/4885THRB 161/4885

“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.