SCHEMBL29424313

SCHEMBL29424313

COCCOCCOCCOC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
OPRM1 P35372 3/20 0.32

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
SCHEMBL29424316 1.00 GAA (0.32) GAAOPRM1
SCHEMBL29424321 1.00 GAA (0.32) GAAOPRM1
SCHEMBL20429052 0.94 GAA (0.34) GAA
SCHEMBL133542 0.86 GAA (0.38) GAA
SCHEMBL18878972 0.84 MEN1 (0.39) GAA
SCHEMBL20428968 0.83 GAA (0.33) GAA
SCHEMBL26567029 0.82
SCHEMBL18878970 0.78 ALDH1A1 (0.42) GAA
SCHEMBL19845811 0.76 GAA (0.35) GAA
SCHEMBL19834225 0.76 GAA (0.35) GAA

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-11271237-B2 Organic redox molecules for flow batteries UCHICAGO ARGONNE, LLC (US) 2022-03-08 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-11271237-B2 Organic redox molecules for flow batteries GPX1, LPO, GPX4 GAA 2689/4885OPRM1 947/4885

“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.