SCHEMBL890544

SCHEMBL890544

C=C(CCCN=C=O)C(=O)O.CCN=C=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.33
TET3 O43151 1/20 0.33
TET1 Q8NFU7 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM2 Q14416 1/20 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
SCHEMBL15427 0.91 TET2 (0.39) TET2TET3TET1GRIK1GRIK2
Acetone SCHEMBL5519066 0.89 TET2 (0.35) TET2TET3TET1GRIK1GRIK2
SCHEMBL33514 0.85 TBXAS1 (0.36) TET2TET3TET1GRIK1GRIK2
SCHEMBL5685778 0.84 CAMK2A (0.35) TET2TET3TET1GRIK1GRIK2
Butylamine SCHEMBL10872129 0.84 GRIK1 (0.33) TET2TET3TET1GRIK1GRIK2
SCHEMBL2358462 0.84 TBXAS1 (0.38) TET2TET3TET1GRIK1GRIK2
SCHEMBL448594 0.84 TBXAS1 (0.38) TET2TET3TET1GRIK1GRIK2
SCHEMBL445702 0.84 TBXAS1 (0.38) TET2TET3TET1GRIK1GRIK2
SCHEMBL448242 0.84 TBXAS1 (0.38) TET2TET3TET1GRIK1GRIK2
SCHEMBL445917 0.84 TBXAS1 (0.38) TET2TET3TET1GRIK1GRIK2

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-20120083550-A1 Composite Material Comprising a Monomer with a Polyalicyclic Structure Element as a Sealing Material VOCO GMBH (DE) 2012-04-05 US disclosed
US-20120082954-A1 Composition Comprising a Monomer with a Polyalicyclic Structure Element for Filling and/or Sealing a Root Canal VOCO GMBH (DE) 2012-04-05 US disclosed
US-20120082637-A1 Lacquer Composition Comprising a Monomer with a Polyalicyclic Structure Element VOCO GMBH (DE) 2012-04-05 US disclosed
US-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element VOCO GMBH (DE) 2012-04-05 US disclosed
US-20120082958-A1 Composite Material Comprising a Monomer with a Polyalicyclic Structure Element VOCO GMBH (DE) 2012-04-05 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 (4 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-20120082958-A1 Composite Material Comprising a Monomer with a Polyalicyclic Structure Element INTS9, PARG, SMCHD1 TET2 179/4885TET3 297/4885TET1 136/4885
US-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element PCBP1, PUF60, PARG TET2 3307/4885TET3 1818/4885TET1 2394/4885
US-20120082637-A1 Lacquer Composition Comprising a Monomer with a Polyalicyclic Structure Element PELP1, ERCC1, GLRA1 TET2 1003/4885TET3 587/4885TET1 276/4885
US-20120083550-A1 Composite Material Comprising a Monomer with a Polyalicyclic Structure Element as a Sealing Material ERCC1, PARG, EPN1 TET2 636/4885TET3 650/4885TET1 255/4885

“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.