SCHEMBL1834656

SCHEMBL1834656

O=[C]OCOC(=O)OCC1COCO1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7153238 0.85 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4
SCHEMBL1817793 0.81
SCHEMBL1834660 0.79 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4
SCHEMBL4420401 0.78
SCHEMBL18030278 0.78 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4
SCHEMBL14351570 0.76
SCHEMBL12234443 0.76 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4
SCHEMBL12234441 0.76 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4
SCHEMBL12234487 0.73 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4
SCHEMBL18691824 0.73 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005730-A1 NOVEL 1,3-OXAZOLIDINE COMPOUNDS AND THEIR USE AS RENIN INHIBITORS MEDIVIR AB (SE) 2013-01-03 US disclosed
EP-2499120-A1 NOVEL 1,3-OXAZOLIDINE COMPOUNDS AND THEIR USE AS RENIN INHIBITORS Novadex Pharmaceuticals AB (SE) 2012-09-19 EP disclosed
WO-2011056126-A1 NOVEL 1,3-OXAZOLIDINE COMPOUNDS AND THEIR USE AS RENIN INHIBITORS NOVADEX PHARMACEUTICALS AB (SE) 2011-05-12 WO 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-20130005730-A1 NOVEL 1,3-OXAZOLIDINE COMPOUNDS AND THEIR USE AS RENIN INHIBITORS REN, AGTR1, ACE ALDH1A1 273/4885TP53 4869/4885CYP3A4 239/4885

“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.