SCHEMBL3751390

SCHEMBL3751390

C=COC(N)=O.C=COC(N)=O.CNCCNC

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
FGFR4 P22455 1/20 0.31
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL35493 0.81
SCHEMBL3763914 0.80 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL28193582 0.78
Ethylenediamine SCHEMBL3755114 0.77 TSHR (0.36) ALOX15ALDH1A1TSHRFGFR4
Acetic Acid SCHEMBL8598465 0.77 FFAR3 (0.37) ALOX15ALDH1A1TSHRFGFR4TDP1
Ether SCHEMBL9622535 0.76 ALOX15 (0.42) ALOX15ALDH1A1TSHRFGFR4
SCHEMBL1582555 0.74
Glycine SCHEMBL21986687 0.73 GLRA1 (0.48) ALDH1A1TSHRFGFR4
Monoethanolamine SCHEMBL3759419 0.73 TSHR (0.38) ALDH1A1TSHRFGFR4
Butyric Acid SCHEMBL9170882 0.71 FFAR3 (0.52) ALOX15ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999323-B2 Composition that can be cured by polymerisation for the production of biodegradable, biocompatible, cross-linkable polymers on the basis of polyvinyl alcohol TECHNISCHE UNIVERSITÄT WIEN (AT) 2015-04-07 US claimed
EP-2428235-B1 Use of compounds hardened by means of polymerisation for producing biodegradable, biocompatible, networked polymers UNIV WIEN TECH (AT) 2014-06-04 EP claimed
US-20100303804-A1 COMPOSITION THAT CAN BE CURED BY POLYMERISATION FOR THE PRODUCTION OF BIODEGRADABLE, BIOCOMPATIBLE, CROSS-LINKABLE POLYMERS ON THE BASIS OF POLYVINYL ALCOHOL TECHNISCHE UNIVERSITAT WIEN (AT) 2010-12-02 US claimed
US-8999323-B2 Composition that can be cured by polymerisation for the production of biodegradable, biocompatible, cross-linkable polymers on the basis of polyvinyl alcohol TECHNISCHE UNIVERSITÄT WIEN (AT) 2015-04-07 US disclosed
US-20100303804-A1 COMPOSITION THAT CAN BE CURED BY POLYMERISATION FOR THE PRODUCTION OF BIODEGRADABLE, BIOCOMPATIBLE, CROSS-LINKABLE POLYMERS ON THE BASIS OF POLYVINYL ALCOHOL TECHNISCHE UNIVERSITAT WIEN (AT) 2010-12-02 US 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-20100303804-A1 COMPOSITION THAT CAN BE CURED BY POLYMERISATION FOR THE PRODUCTION OF BIODEGRADABLE, BIOCOMPATIBLE, CROSS-LINKABLE POLYMERS ON THE BASIS OF POLYVINYL ALCOHOL SCO2, CBR1, CBR3 ALOX15 85/4885ALDH1A1 822/4885TSHR 4555/4885

“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.