SCHEMBL2545650

SCHEMBL2545650

CCC(=C[C@H](C)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 8/20 0.39
GRIK2 Q13002 4/20 0.39
GRIA2 P42262 2/20 0.39
GRIA4 P48058 2/20 0.39
GRIK3 Q13003 2/20 0.39
GRIK5 Q16478 2/20 0.39
GRIA1 P42261 1/20 0.39
FFAR3 O14843 1/20 0.35
TP53 P04637 1/20 0.33
TBXAS1 P24557 2/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1897176 0.83 GRIK1 (0.55) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL12191191 0.83 GRIK1 (0.55) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL9651132 0.82 FFAR3 (0.39) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL27734834 0.79 GAPDH (0.37) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL14891395 0.79 TSHR (0.48) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL31028121 0.79 GRIK1 (0.38) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL3240320 0.76 ALDH1A1 (0.39) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL2703569 0.76 GRIK1 (0.32) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL6661767 0.76 GPR84 (0.47) TSHR
SCHEMBL2203074 0.74 GRIK1 (0.35) GRIK1GRIK2GRIA2GRIA4GRIK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263873-A1 Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives NOVARTIS AG (CH) 2011-10-27 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-20110263873-A1 Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives BCAT1, BCAT2, AADAT GRIK1 1142/4885GRIK2 936/4885GRIA2 414/4885

“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.