SCHEMBL110911

SCHEMBL110911

C=C(C)C(=O)NCCCCCN

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.64
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
HIF1A Q16665 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM4A O75164 1/20 0.42
TET2 Q6N021 1/20 0.42
DOHH Q9BU89 1/20 0.42
SLC6A5 Q9Y345 2/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RRM1 P23921 1/20 0.39
ADRA1A P35348 1/20 0.38

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
SCHEMBL3508069 1.00 PAOX (0.64) PAOXGNAI3GNAO1GNAI1HIF1A
Hydrochloric Acid SCHEMBL21772210 0.98 PAOX (0.62) PAOXGNAI3GNAO1GNAI1HIF1A
Hydrochloric Acid SCHEMBL29050250 0.98 PAOX (0.62) PAOXGNAI3GNAO1GNAI1HIF1A
SCHEMBL109078 0.98 PAOX (0.61) PAOXGNAI3GNAO1GNAI1HIF1A
Hydrochloric Acid SCHEMBL21772194 0.96 PAOX (0.59) PAOXGNAI3GNAO1GNAI1HIF1A
SCHEMBL49567 0.92 PAOX (0.52) PAOXGNAI3GNAO1GNAI1HIF1A
SCHEMBL28954974 0.92 PAOX (0.52) PAOXGNAI3GNAO1GNAI1HIF1A
SCHEMBL17307128 0.91 PAOX (0.55) PAOXGNAI3GNAO1GNAI1HIF1A
SCHEMBL15271425 0.91 PAOX (0.53) PAOXGNAI3GNAO1GNAI1KDM4E
Phosphoric Acid SCHEMBL9949958 0.91 PAOX (0.53) PAOXGNAI3GNAO1GNAI1HIF1A

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 24 patents — showing the first 20. 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
CN-105338947-B dental material based on monomers containing urea groups 义获嘉伟瓦登特公司 2018-06-01 CN disclosed
US-9861557-B2 Dental materials on the basis of urea group-containing monomers IVOCLAR VIVADENT AG (LI) 2018-01-09 US disclosed
US-9861557-B2 Dental materials on the basis of urea group-containing monomers IVOCLAR VIVADENT AG (LI) 2018-01-09 US disclosed
EP-2823801-B1 Dental materials on the basis of monomers containing urea groups IVOCLAR VIVADENT AG (LI) 2017-04-19 EP disclosed
EP-2823801-B1 Dental materials on the basis of monomers containing urea groups IVOCLAR VIVADENT AG (LI) 2017-04-19 EP disclosed
US-20160151249-A1 DENTAL MATERIALS ON THE BASIS OF UREA GROUP-CONTAINING MONOMERS IVOCLAR VIVADENT AG (LI) 2016-06-02 US disclosed
US-20160151249-A1 DENTAL MATERIALS ON THE BASIS OF UREA GROUP-CONTAINING MONOMERS IVOCLAR VIVADENT AG (LI) 2016-06-02 US disclosed
US-20160151249-A1 DENTAL MATERIALS ON THE BASIS OF UREA GROUP-CONTAINING MONOMERS IVOCLAR VIVADENT AG (LI) 2016-06-02 US disclosed
CN-105338947-A Dental material based on monomers containing urea groups IVOCLAR VIVADENT AG 2016-02-17 CN disclosed
US-8722931-B2 Compound and method for preparing the same FUJIFILM CORPORATION (JP) 2014-05-13 US disclosed
US-8722931-B2 Compound and method for preparing the same FUJIFILM CORPORATION (JP) 2014-05-13 US 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-20120165572-A1 NOVEL COMPOUND AND METHOD FOR PREPARING THE SAME FUJIFILM CORPORATION (JP) 2012-06-28 US disclosed
EP-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 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
US-20090264551-A1 Photocurable fixture for orthopedic surgery background of the invention ALCARE CO., LTD. 2009-10-22 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 (3 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 PAOX 3958/4885GNAI3 3501/4885GNAO1 2589/4885
US-20120165572-A1 NOVEL COMPOUND AND METHOD FOR PREPARING THE SAME ADCY1, ADCY2, ADCY5 PAOX 2295/4885GNAI3 548/4885GNAO1 314/4885
US-20160151249-A1 DENTAL MATERIALS ON THE BASIS OF UREA GROUP-CONTAINING MONOMERS UFM1, SLC14A1, USO1 PAOX 2235/4885GNAI3 3847/4885GNAO1 2425/4885

“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.