SCHEMBL2909533

SCHEMBL2909533

CCCCCC(CC(C)=O)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.48
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
GPR84 Q9NQS5 7/20 0.44
CA1 P00915 4/20 0.44
MAPK1 P28482 1/20 0.43
FFAR1 O14842 1/20 0.42
BIRC2 Q13490 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2915731 0.98 CA2 (0.52) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL7902271 0.98 CA2 (0.52) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL7902957 0.98 CA2 (0.52) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL13025496 0.93 CA2 (0.50) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL7036481 0.86 CA2 (0.56) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL4301825 0.85 CA2 (0.57) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9727189 0.84 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL1038699 0.84 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL1259905 0.84 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9639022 0.84 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309742-B2 Use of the PigD protein for catalyzing 1,4-additions of 2-oxoalkanoates to α, β-unsaturated ketones ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2012-11-13 US disclosed
US-8309742-B2 Use of the PigD protein for catalyzing 1,4-additions of 2-oxoalkanoates to α, β-unsaturated ketones ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2012-11-13 US disclosed
US-20100305337-A1 Use Of The PIGD Protein For Catalyzing 1,4-Additions Of 2-Oxoalkanoates To Alpha, Beta-Unsaturated Ketones ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2010-12-02 US disclosed
US-20100305337-A1 Use Of The PIGD Protein For Catalyzing 1,4-Additions Of 2-Oxoalkanoates To Alpha, Beta-Unsaturated Ketones ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2010-12-02 US disclosed
EP-2142657-B1 USE OF THE PIGD PROTEIN FOR CATALYZING 1,4-ADDITIONS OF 2-OXOALKANOATES TO ALPHA, BETA-UNSATURATED KETONES UNIV ALBERT LUDWIGS FREIBURG (DE) 2010-09-01 EP disclosed
EP-2142657-B1 USE OF THE PIGD PROTEIN FOR CATALYZING 1,4-ADDITIONS OF 2-OXOALKANOATES TO ALPHA, BETA-UNSATURATED KETONES UNIV ALBERT LUDWIGS FREIBURG (DE) 2010-09-01 EP disclosed
EP-2142657-A1 USE OF THE PIGD PROTEIN FOR CATALYZING 1,4-ADDITIONS OF 2-OXOALKANOATES TO ALPHA, BETA-UNSATURATED KETONES Albert-Ludwigs-Universität Freiburg (DE) 2010-01-13 EP disclosed
WO-2008138450-A1 USE OF THE PIGD PROTEIN FOR CATALYZING 1,4-ADDITIONS OF 2-OXOALKANOATES TO ALPHA, BETA-UNSATURATED KETONES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2008-11-20 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 (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-20100305337-A1 Use Of The PIGD Protein For Catalyzing 1,4-Additions Of 2-Oxoalkanoates To Alpha, Beta-Unsaturated Ketones PGD, PC, PDK4 CA2 975/4885GRIK1 913/4885GRIK2 814/4885

“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.