SCHEMBL10126328

SCHEMBL10126328

CCC(O)C(=O)C(=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
TET2 Q6N021 3/20 0.36
TET3 O43151 1/20 0.36
TET1 Q8NFU7 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL502499 0.83
SCHEMBL29001668 0.76 OR51E2 (0.52) SMN1; SMN2TET2TET3TET1SLC22A6
Acetaldehyde SCHEMBL18398677 0.75 GAPDH (0.33) GPR84
SCHEMBL10126335 0.75 TRPA1 (0.32)
SCHEMBL5753841 0.74 FOLH1 (0.32)
SCHEMBL2884275 0.72 TSHR (0.36) GPR84
SCHEMBL2884280 0.72 TSHR (0.36) GPR84
SCHEMBL4642136 0.72
SCHEMBL9599979 0.72 TSHR (0.36) GPR84
Oxalic Acid SCHEMBL28235580 0.72 OR51E2 (0.48) SMN1; SMN2TET2TET3TET1GPR84

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-20120052028-A1 CINNAMIC ACID ASCORBATES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 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-20120052028-A1 CINNAMIC ACID ASCORBATES PROC, C1S, NISCH SMN1; SMN2 3843/4885TET2 72/4885TET3 521/4885

“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.