SCHEMBL9947658

SCHEMBL9947658

CCOC(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.65
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.55
GSR P00390 2/20 0.34

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
SCHEMBL3491545 0.86 ALDH1A1 (0.75) BCHEALDH1A1MAPTGSR
SCHEMBL3494230 0.86 ALDH1A1 (0.75) BCHEALDH1A1MAPTGSR
SCHEMBL3489939 0.86 ALDH1A1 (0.75) BCHEALDH1A1MAPTGSR
SCHEMBL601373 0.86 BCHE (0.53) BCHEALDH1A1
SCHEMBL31538810 0.86 ALDH1A1 (0.60) BCHEALDH1A1MAPTGSR
SCHEMBL31538812 0.86 BCHE (0.61) BCHEALDH1A1MAPTGSR
SCHEMBL31538811 0.86 ALDH1A1 (0.60) BCHEALDH1A1MAPTGSR
SCHEMBL31538809 0.84 BCHE (0.71) BCHEALDH1A1MAPTGSR
SCHEMBL7413928 0.82 ALDH1A1 (0.72) BCHEALDH1A1MAPTGSR
SCHEMBL7417455 0.82 ALDH1A1 (0.72) BCHEALDH1A1MAPTGSR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065765-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2011-03-17 US claimed
US-8367711-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20120238608-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-09-20 US disclosed
US-8207208-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
US-20110065765-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2011-03-17 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 (2 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-20120238608-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN BCHE 1913/4885ALDH1A1 2760/4885MAPT 3903/4885
US-20110065765-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN BCHE 1906/4885ALDH1A1 3141/4885MAPT 4112/4885

“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.