SCHEMBL6806230

SCHEMBL6806230

O=C(O)C1COC(=O)N1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
IL6ST P40189 1/20 0.33
ACE P12821 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
SCHEMBL21075769 0.84 MAPK1 (0.36) NAAAIL6STACE
SCHEMBL19083744 0.84 MAPK1 (0.36) NAAAIL6STACE
SCHEMBL19083745 0.80 NAAA (0.33) NAAAIL6STACE
SCHEMBL19084016 0.80 IL6ST (0.43) NAAAIL6STACE
SCHEMBL7484640 0.75 P2RX7 (0.39) NAAAACE
SCHEMBL3333540 0.75 P2RX7 (0.39) NAAAACE
SCHEMBL22708254 0.75 P2RX7 (0.39) NAAAACE
SCHEMBL1456292 0.75 NAAA (0.33) NAAAIL6ST
SCHEMBL17428803 0.72 KMT2A (0.33)
SCHEMBL21802037 0.72 AGTR2 (0.32) ACE

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-20040110727-A1 Aldehyde-releasing compounds LA TROBE UNIVERSITY (AU) 2004-06-10 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-20040110727-A1 Aldehyde-releasing compounds AOX1, ALDH2, ACADM NAAA 2678/4885IL6ST 3386/4885ACE 1900/4885

“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.