SCHEMBL13025501

SCHEMBL13025501

CCCC/C=C(/CC(C)=O)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.43
EP300 Q09472 1/20 0.39
CES1 P23141 1/20 0.37
TSHR P16473 1/20 0.36
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
POLB P06746 1/20 0.32
CES2 O00748 3/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13061577 0.78 EP300 (0.42) GRIK1EP300CES1TSHRF7
SCHEMBL1119166 0.73 F7 (0.59) TSHRF7F3POLBALDH1A1
SCHEMBL1119164 0.73 F7 (0.59) TSHRF7F3POLBALDH1A1
SCHEMBL1119162 0.73 F7 (0.59) TSHRF7F3POLBALDH1A1
SCHEMBL1785114 0.73 EP300 (0.45) GRIK1EP300CES1TSHRF7
SCHEMBL309931 0.73 EP300 (0.45) GRIK1EP300CES1TSHRF7
SCHEMBL7115099 0.71 EP300 (0.48) GRIK1EP300CES1TSHRF7
SCHEMBL22631566 0.71 EP300 (0.43) GRIK1EP300CES1TSHRF7
SCHEMBL205160 0.71 GRIK1 (0.56) GRIK1EP300TSHRF7F3
SCHEMBL7560057 0.70 GRIK1 (0.59) GRIK1EP300TSHRF7F3

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 3 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-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

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 GRIK1 913/4885EP300 3736/4885CES1 428/4885

“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.