SCHEMBL13554185

SCHEMBL13554185

CC#CCC(C)C(=O)CP(C)(C)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
CTSK P43235 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
SCHEMBL16405374 1.00 GRIK1 (0.33) GRIK1GRIK2CTSK
SCHEMBL14296323 1.00 GRIK1 (0.33) GRIK1GRIK2CTSK
SCHEMBL9090285 0.85 MEN1 (0.33) GRIK1GRIK2CTSK
SCHEMBL9547937 0.85 MEN1 (0.33) GRIK1GRIK2CTSK
SCHEMBL16072763 0.83 GRIK1 (0.35) GRIK1GRIK2
SCHEMBL16841347 0.82 CTSK (0.32) GRIK1GRIK2CTSK
SCHEMBL16841348 0.82 CTSK (0.32) GRIK1GRIK2CTSK
SCHEMBL18501473 0.81 GRIK1 (0.32) GRIK1GRIK2CTSK
SCHEMBL18969756 0.81 GRIK1 (0.32) GRIK1GRIK2CTSK
SCHEMBL18501471 0.81 GRIK1 (0.32) GRIK1GRIK2CTSK

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-20120270934-A1 PROSTACYCLIN DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2012-10-25 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-20120270934-A1 PROSTACYCLIN DERIVATIVES PTGIS, PTGIR, PTGER1 GRIK1 2830/4885GRIK2 3363/4885CTSK 4403/4885

“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.