SCHEMBL1979844

SCHEMBL1979844

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
GSR P00390 1/20 0.37
RIPK1 Q13546 1/20 0.37
LMNA P02545 1/20 0.34
AOC3 Q16853 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ADAM17 P78536 1/20 0.33
TRPA1 O75762 1/20 0.33

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
Nitric Acid SCHEMBL1993584 0.97 ALDH1A1 (0.41) ALDH1A1KDM4ECYP3A4SLC6A2SLC6A4
SCHEMBL1993585 0.93 GSR (0.39) ALDH1A1KDM4ECYP3A4SLC6A2SLC6A4
SCHEMBL13271383 0.79 GSR (0.41) ALDH1A1KDM4ECYP3A4GSRRIPK1
SCHEMBL4443813 0.78 KMT2A (0.47) ALDH1A1KDM4ECYP3A4GSRKMT2A
SCHEMBL443077 0.76 ALDH1A1 (0.69) ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL14376038 0.76 ALDH1A1 (0.39) ALDH1A1KDM4ECYP3A4GSRRIPK1
SCHEMBL11868344 0.71 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL1980589 0.69 ALDH1A1 (0.37) ALDH1A1KDM4ELMNA
SCHEMBL1982333 0.68 SLC6A4 (0.46) ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL12596385 0.68 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3RIPK1LMNA

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518048-B1 Diamino-alcohol compounds and processes for their manufacture ANGUS CHEMICAL (US) 2017-11-22 EP disclosed
EP-2518048-B1 Diamino-alcohol compounds and processes for their manufacture ANGUS CHEMICAL (US) 2017-11-22 EP disclosed
US-8785532-B2 Diamino-alcohol compounds, their manufacture and use in coatings applications ANGUS CHEMICAL COMPANY 2014-07-22 US disclosed
US-8785532-B2 Diamino-alcohol compounds, their manufacture and use in coatings applications ANGUS CHEMICAL COMPANY 2014-07-22 US disclosed
US-8785532-B2 Diamino-alcohol compounds, their manufacture and use in coatings applications ANGUS CHEMICAL COMPANY 2014-07-22 US disclosed
EP-2341093-B1 Novel diamino-alcohol compounds, their manufacture and use in epoxy resins DOW GLOBAL TECHNOLOGIES LLC (US) 2014-06-18 EP disclosed
EP-2341093-B1 Novel diamino-alcohol compounds, their manufacture and use in epoxy resins DOW GLOBAL TECHNOLOGIES LLC (US) 2014-06-18 EP disclosed
US-8697915-B2 Diamino-alcohol compounds and processes for their manufacture ANGUS CHEMICAL COMPANY 2014-04-15 US disclosed
US-8552072-B2 Diamino-alcohol compounds, their manufacture and use in high solids mineral slurries DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-08 US disclosed
US-8552072-B2 Diamino-alcohol compounds, their manufacture and use in high solids mineral slurries DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-08 US disclosed
US-20110152407-A1 Novel diamino-alcohol compounds, their manufacture and use in epoxy resins ADVANCION CORPORATION 2011-06-23 US disclosed
US-20110152407-A1 Novel diamino-alcohol compounds, their manufacture and use in epoxy resins ADVANCION CORPORATION 2011-06-23 US 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-20110147649-A1 Novel diamino-alcohol compounds, their manufacture and use in high solids mineral slurries ADVANCION CORPORATION 2011-06-23 US disclosed
US-20110152407-A1 Novel diamino-alcohol compounds, their manufacture and use in epoxy resins ADVANCION CORPORATION 2011-06-23 US disclosed
US-20110152401-A1 Novel diamino-alcohol compounds, their manufacture and use in coatings applications ADVANCION CORPORATION 2011-06-23 US disclosed
US-20110152401-A1 Novel diamino-alcohol compounds, their manufacture and use in coatings applications ADVANCION CORPORATION 2011-06-23 US disclosed
US-20110152401-A1 Novel diamino-alcohol compounds, their manufacture and use in coatings applications 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
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 ALDH1A1 16/4885KDM4E 542/4885CYP3A4 1327/4885

“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.