SCHEMBL18705302

SCHEMBL18705302

CC1(C)CC(OCC(O[N+](=O)[O-])C(COC2CC(C)(C)N(O)C(C)(C)C2)O[N+](=O)[O-])CC(C)(C)N1O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 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
SCHEMBL18705301 0.88 GAA (0.32) GAAHTT
SCHEMBL18705296 0.85
SCHEMBL18713125 0.83 PTGS1 (0.33)
SCHEMBL26290593 0.74 GAA (0.36) GAAL3MBTL1HTT
SCHEMBL13212316 0.74 GAA (0.37) GAAL3MBTL1HTT
SCHEMBL13328964 0.73 GAA (0.35) GAAL3MBTL1HTT
SCHEMBL23355259 0.71 GAA (0.34) GAAL3MBTL1HTT
SCHEMBL13257061 0.70 GAA (0.33) GAAL3MBTL1HTT
SCHEMBL23355258 0.70 GAA (0.33) GAAL3MBTL1HTT
SCHEMBL2025232 0.70 GAA (0.33) GAAL3MBTL1HTT

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-20170095445-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISEASES OF THE LUNG RADIKAL THERAPEUTICS INC (US) 2017-04-06 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-20170095445-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISEASES OF THE LUNG MPO, ELANE, CYSLTR2 GAA 3976/4885L3MBTL1 997/4885HTT 3764/4885

“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.