SCHEMBL1993585

SCHEMBL1993585

CC(C)(C(O)CC(c1ccccc1)C(C)(C)[N+](=O)[O-])[N+](=O)[O-].O=[N+]([O-])O[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.37
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RIPK1 Q13546 1/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1979844 0.93 ALDH1A1 (0.43) GSRALDH1A1KDM4ECYP3A4SLC6A2
Nitric Acid SCHEMBL1993584 0.90 ALDH1A1 (0.41) GSRALDH1A1KDM4ECYP3A4SLC6A2
SCHEMBL13271383 0.74 GSR (0.41) GSRALDH1A1KDM4ECYP3A4RIPK1
SCHEMBL2006086 0.73 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL4443813 0.73 KMT2A (0.47) GSRALDH1A1KDM4ECYP3A4MAPT
SCHEMBL443077 0.71 ALDH1A1 (0.69) GSRALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL14376038 0.71 ALDH1A1 (0.39) GSRALDH1A1KDM4ECYP3A4RIPK1
SCHEMBL11868344 0.66 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL1980589 0.64 ALDH1A1 (0.37) ALDH1A1KDM4ELMNA
SCHEMBL1982333 0.63 SLC6A4 (0.46) ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348073-A1 Use of diamino-alcohol compouds in high solids mineral slurries Dow Global Technologies LLC (US) 2011-07-27 EP disclosed
EP-2341093-A1 Novel diamino-alcohol compounds, their manufacture and use in epoxy resins Dow Global Technologies LLC (US) 2011-07-06 EP disclosed
EP-2338872-A2 Diamino-alcohol compounds and processes for their manufacture Dow Global Technologies LLC (US) 2011-06-29 EP disclosed
EP-2338941-A1 Novel diamino-alcohol compounds, their manufacture and use in coatings applications Dow Global Technologies LLC (US) 2011-06-29 EP disclosed
US-20110147649-A1 Novel diamino-alcohol compounds, their manufacture and use in high solids mineral slurries ADVANCION CORPORATION 2011-06-23 US disclosed
US-20110152574-A1 Novel diamino-alcohol compounds and processes for their manufacture ADVANCION CORPORATION 2011-06-23 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-20110152574-A1 Novel diamino-alcohol compounds and processes for their manufacture ADH1A, ADH1C, ADH5 GSR 4779/4885ALDH1A1 16/4885KDM4E 542/4885

“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.