SCHEMBL15726596

SCHEMBL15726596

CCC(OC#N)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.33
ZDHHC7 Q9NXF8 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
CASP7 P55210 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL8520065 0.84
SCHEMBL807407 0.84
SCHEMBL25600153 0.84
SCHEMBL23130165 0.83 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1TSHRMGAMGAA
SCHEMBL24950448 0.82 ZDHHC7 (0.39) CA1CA2SMN1; SMN2ZDHHC7ALDH1A1
SCHEMBL21707117 0.82 CA1 (0.37) CA1CA2SMN1; SMN2ZDHHC7ALDH1A1
SCHEMBL23130402 0.80 MME (0.36) CA1CA2SMN1; SMN2ALDH1A1TSHR
SCHEMBL23130417 0.77
SCHEMBL23130162 0.76 GAA (0.38) ALDH1A1TSHRMAPK1GAA
SCHEMBL4430069 0.75 CA1 (0.45) CA1CA2SMN1; SMN2ZDHHC7ALDH1A1

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-20140142199-A1 ABSORBABLE BRANCHED POLYESTERS AND POLYURETHANES BEZWADA BIOMEDICAL, LLC 2014-05-22 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-20140142199-A1 ABSORBABLE BRANCHED POLYESTERS AND POLYURETHANES SI, MGAM, BPHL CA1 2642/4885CA2 2860/4885SMN1; SMN2 2944/4885

“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.