SCHEMBL4565141

SCHEMBL4565141

COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NC2CCN(C(=O)COC(=O)c3ccc(CO[N+](=O)[O-])cc3)CC2)C(C)C)C(C)C)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.55

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
SCHEMBL4565144 1.00 REN (0.55) REN
SCHEMBL7305715 0.84 REN (0.68) REN
Hydrochloric Acid SCHEMBL7297247 0.83 REN (0.70) REN
SCHEMBL4532035 0.83 REN (0.65) REN
SCHEMBL8260669 0.82 REN (0.69) REN
SCHEMBL14129590 0.82 REN (0.69) REN
SCHEMBL428859 0.82 REN (0.69) REN
SCHEMBL14129473 0.81 REN (0.68) REN
SCHEMBL14098005 0.81 REN (0.68) REN
SCHEMBL425678 0.81 REN (0.66) REN

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.