SCHEMBL3759105

SCHEMBL3759105

C=COC(N)=O.CCOP(=O)(OCC)OCCN

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL6014558 0.79 TSHR (0.65) TSHRCYP3A4CA12CA1CA2
SCHEMBL29212840 0.79 TSHR (0.65) TSHRCYP3A4CA12CA1CA2
Ethylenediamine SCHEMBL3755114 0.77 TSHR (0.36) TSHRCYP3A4ALOX15
SCHEMBL284964 0.77 TSHR (0.39) TSHRCYP3A4CA12CA1CA2
Methacrylic Acid SCHEMBL28569654 0.76 TSHR (0.45) TSHRCYP3A4CA12CA1CA2
Triethyl Phosphate SCHEMBL31533519 0.73 TSHR (0.77) TSHRCYP3A4CA12CA1CA2
SCHEMBL328730 0.72 TSHR (0.41) TSHRCYP3A4CA12CA1CA2
SCHEMBL284261 0.72 TSHR (0.41) TSHRCYP3A4CA12CA1CA2
Ether SCHEMBL9622535 0.72 ALOX15 (0.42) TSHRALOX15
Monoethanolamine SCHEMBL3759419 0.69 TSHR (0.38) TSHR

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 4 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
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 TSHR 4555/4885CYP3A4 2013/4885ALOX15 85/4885

“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.