SCHEMBL4531083

SCHEMBL4531083

COCCCCc1cc(C[C@@H](C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C[C@H](C(=O)NC2CCN(C(=O)COC(=O)OCCOCCO[N+](=O)[O-])CC2)C(C)C)C(C)C)cnc1OC

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 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
SCHEMBL4537615 0.90 REN (0.43) REN
SCHEMBL4046996 0.78 REN (0.34) REN
SCHEMBL4530987 0.75 REN (0.34) REN
SCHEMBL4755873 0.70 REN (0.41) REN
SCHEMBL8459905 0.70 REN (0.41) REN
SCHEMBL4755887 0.70 REN (0.41) REN
SCHEMBL5162919 0.70 REN (0.41) REN
SCHEMBL4234446 0.70
SCHEMBL4052449 0.69 REN (0.35) REN
SCHEMBL4053255 0.69 CTSK (0.37)

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-20090318432-A1 Nitrate esters of aminoalcohols SPEEDEL EXPERIMENTA AG (CH) 2009-12-24 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-20090318432-A1 Nitrate esters of aminoalcohols NOS2, NOS1, NOS3 REN 6/4885

“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.