SCHEMBL6466623

SCHEMBL6466623

CC(C)([C]=O)CO[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL9803543 0.75 ALDH1A1 (0.62) ALDH1A1
SCHEMBL7759159 0.75
SCHEMBL2220993 0.75 ALDH1A1 (0.62) ALDH1A1
SCHEMBL10950356 0.71 ALDH1A1 (0.56) ALDH1A1
SCHEMBL10936087 0.71 ALDH1A1 (0.56) ALDH1A1
SCHEMBL11820966 0.71
SCHEMBL2116285 0.71 ALDH1A1 (0.56) ALDH1A1
SCHEMBL13928058 0.70 ALDH1A1 (0.54) ALDH1A1
SCHEMBL16541056 0.70 ALDH1A1 (0.54) ALDH1A1
SCHEMBL8277381 0.70 ALDH1A1 (0.54) ALDH1A1

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-20050113409-A1 Method for the prevention or treatment of pain, inflammation and inflammation-related disorders with a Cox-2 selective inhibitor in combination with a nitric oxide-donating agent and compositions therewith PHARMACIA CORPORATION (US) 2005-05-26 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-20050113409-A1 Method for the prevention or treatment of pain, inflammation and inflammation-related disorders with a Cox-2 selective inhibitor in combination with a nitric oxide-donating agent and compositions therewith PTGS2, NOS2, PTGES2 ALDH1A1 574/4885

“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.