SCHEMBL2915731

SCHEMBL2915731

CCCCCCC(CC(C)=O)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
GPR84 Q9NQS5 7/20 0.47
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
FFAR1 O14842 1/20 0.45
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
MMP2 P08253 5/20 0.43
MMP3 P08254 5/20 0.43
MMP1 P03956 3/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
MMP7 P09237 1/20 0.43
CA1 P00915 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL7902271 1.00 CA2 (0.52) CA2GPR84GRIK1GRIK2FFAR1
SCHEMBL7902957 1.00 CA2 (0.52) CA2GPR84GRIK1GRIK2FFAR1
SCHEMBL2909533 0.98 CA2 (0.48) CA2GPR84GRIK1GRIK2FFAR1
SCHEMBL13025496 0.91 CA2 (0.50) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9727189 0.87 CA2 (0.59) CA2GPR84GRIK1GRIK2FFAR1
SCHEMBL1259905 0.87 CA2 (0.59) CA2GPR84GRIK1GRIK2FFAR1
SCHEMBL1260244 0.87 CA2 (0.59) CA2GPR84GRIK1GRIK2FFAR1
SCHEMBL1038699 0.87 CA2 (0.59) CA2GPR84GRIK1GRIK2FFAR1
SCHEMBL9639022 0.87 CA2 (0.59) CA2GPR84GRIK1GRIK2FFAR1
SCHEMBL11380532 0.87 CA2 (0.59) CA2GPR84GRIK1GRIK2FFAR1

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 975/4885GPR84 1673/4885GRIK1 913/4885

“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.