SCHEMBL328730

SCHEMBL328730

C=COC(=O)NCCOP(=O)(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ENPP2 Q13822 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
CYP3A4 P08684 1/20 0.32
ACHE P22303 7/20 0.32

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
SCHEMBL284261 1.00 TSHR (0.41) TSHRCA12CA1CA2CA9
SCHEMBL13052067 0.86 CA12 (0.39) CA12CA1CA2CA9ENPP2
SCHEMBL27999363 0.78 HPGD (0.38) TSHR
SCHEMBL26277105 0.77 ACHE (0.41) TSHRCA12CA1CA2CA9
SCHEMBL15752144 0.76 ENPP2 (0.32) ENPP2LPAR1LPAR2
SCHEMBL3686778 0.74
SCHEMBL21577394 0.74 SMN1; SMN2 (0.41) TSHRACHE
SCHEMBL14748951 0.74 FABP3 (0.36) TSHRENPP2LPAR1LPAR2
SCHEMBL13055391 0.73 TSHR (0.35) TSHRACHE
SCHEMBL3759105 0.72 TSHR (0.41) TSHRCA12CA1CA2CA9

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 6 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 disclosed
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
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 disclosed
EP-2428235-A2 Use of compounds hardened by means of polymerisation for producing biodegradable, biocompatible, networked polymers Technische Universität Wien (AT) 2012-03-14 EP 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
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 4555/4885CA12 1262/4885CA1 1276/4885

“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.