SCHEMBL2010919

SCHEMBL2010919

CC(CC#N)(CC(=O)O)N=NC(C)(CC#N)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.35
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MCL1 Q07820 2/20 0.32
DPP4 P27487 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL6898351 0.77 KDM4E (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL9538499 0.76 HMGCR (0.61) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL15844297 0.71 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL786021 0.71 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL9351424 0.71 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Carbamic Acid SCHEMBL28424909 0.70 MCL1 (0.40) KDM4EMCL1DPP4
SCHEMBL7845294 0.68 ALDH1A1 (0.33) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL5789155 0.67
SCHEMBL17610936 0.67 TSHR (0.36) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Acetonitrile SCHEMBL1773605 0.67 KDM4E (0.52) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2063914-B1 GRAFTED MACROMOLECULAR CONJUGATES OF DOXORUBICIN WITH ANTICANCER ACTIVITY AND METHOD OF THEIR PREPARATION ZENTIVA KS (CZ) 2018-12-26 EP disclosed
US-9173949-B2 Dendritic high-molecular-weight polymer drug carriers and their conjugates with drugs especially for treatment of solid tumours USTAV MAKROMOLEKULARNI CHEMIE AV CR, V.V.I. (CZ) 2015-11-03 US disclosed
EP-2512521-B1 DENDRITIC HIGH-MOLECULAR-WEIGHT POLYMER DRUG CARRIERS AND THEIR CONJUGATES WITH DRUGS ESPECIALLY FOR TREATMENT OF SOLID TUMOURS USTAV MAKROMOLEKULARNI CHEMIE (CZ) 2014-02-26 EP disclosed
US-8603990-B2 Grafted macromolecular conjugates of doxorubicin with anticancer activity and method of their preparation ZENTIVA K.S. (CS) 2013-12-10 US disclosed
US-20120296048-A1 Dendritic High-molecular-weight Polymer Drug Carriers and Their Conjugates with Drugs Especially for Treatment of Solid Tumours MIKROBIOLOGICKY USTAV AV CR, V.V.I. (CZ) 2012-11-22 US disclosed
EP-2512521-A2 DENDRITIC HIGH-MOLECULAR-WEIGHT POLYMER DRUG CARRIERS AND THEIR CONJUGATES WITH DRUGS ESPECIALLY FOR TREATMENT OF SOLID TUMOURS Ustav Makromolekularni Chemie AV CR, V.V.I. (CZ) 2012-10-24 EP disclosed
WO-2011072627-A2 DENDRITIC HIGH-MOLECULAR-WEIGHT POLYMER DRUG CARRIERS AND THEIR CONJUGATES WITH DRUGS ESPECIALLY FOR TREATMENT OF SOLID TUMOURS USTAV MAKROMOLEKULARNI CHEMIE AV CR, V.V.I. (CZ) 2011-06-23 WO disclosed
US-20090306004-A1 GRAFTED MACROMOLECULAR CONJUGATES OF DOXORUBICIN WITH ANTICANCER ACTIVITY AND METHOD OF THEIR PREPARATION ZENTIVA K.S. (CZ) 2009-12-10 US disclosed
EP-2063914-A1 GRAFTED MACROMOLECULAR CONJUGATES OF DOXORUBICIN WITH ANTICANCER ACTIVITY AND METHOD OF THEIR PREPARATION Zentiva, k.s. (CZ) 2009-06-03 EP disclosed
WO-2008034391-A1 GRAFTED MACROMOLECULAR CONJUGATES OF DOXORUBICIN WITH ANTICANCER ACTIVITY AND METHOD OF THEIR PREPARATION ZENTIVA, A.S. (CZ) 2008-03-27 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-20090306004-A1 GRAFTED MACROMOLECULAR CONJUGATES OF DOXORUBICIN WITH ANTICANCER ACTIVITY AND METHOD OF THEIR PREPARATION DNPEP, HDGF, LNPEP HMGCR 1036/4885CHRM1 4504/4885TBXA2R 4566/4885

“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.