SCHEMBL4530615

SCHEMBL4530615

COCCCOc1cc(C[C@@H](C[C@@H]([C@@H]2C[C@@H](C(C)C)C(=O)O2)N(C(=O)O)C(C)(C)C)C(C)C)cnc1OC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.35
CYP2B6 P20813 1/20 0.33
TENT4A Q5XG87 1/20 0.33
TENT4B Q8NDF8 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
SCHEMBL4530619 1.00 REN (0.35) RENCYP2B6TENT4ATENT4B
SCHEMBL4532575 0.90 REN (0.33) REN
SCHEMBL4532580 0.90 REN (0.33) REN
SCHEMBL9948074 0.89 REN (0.47) REN
SCHEMBL4531133 0.89 REN (0.47) REN
SCHEMBL4047536 0.84 REN (0.37) REN
SCHEMBL4047532 0.84 REN (0.37) REN
SCHEMBL14080099 0.83 REN (0.34) REN
SCHEMBL4966846 0.83 REN (0.34) REN
SCHEMBL4074782 0.82

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 6/4885CYP2B6 1459/4885TENT4A 2871/4885

“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.