SCHEMBL1554934

SCHEMBL1554934

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 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
SCHEMBL2837956 0.90 CA2 (0.38) ALDH1A1KDM4E
SCHEMBL1554757 0.88 ALDH1A1 (0.35) ALDH1A1KDM4ELMNA
SCHEMBL38660120 0.84 ALDH1A1 (0.38) ALDH1A1KDM4E
Nitric Acid SCHEMBL8525731 0.83 CA2 (0.41) ALDH1A1
SCHEMBL10935741 0.79 TSHR (0.46) ALDH1A1KDM4ELMNA
SCHEMBL28086990 0.79 ALDH1A1 (0.40) ALDH1A1KDM4ELMNA
SCHEMBL3273563 0.72
SCHEMBL11042921 0.72 ALDH1A1 (0.45) ALDH1A1KDM4ELMNA
Nitric Acid SCHEMBL2006085 0.71 ALDH1A1 (0.35) ALDH1A1KDM4ELMNA
Nitric Acid SCHEMBL1979549 0.71 ALDH1A1 (0.35) ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8692031-B2 Method for preparing polyamine compounds DOW GLOBAL TECHNOLOGIES LLC (US) 2014-04-08 US disclosed
US-8692031-B2 Method for preparing polyamine compounds DOW GLOBAL TECHNOLOGIES LLC (US) 2014-04-08 US disclosed
EP-2464621-B1 METHOD FOR PREPARING POLYAMINE COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-05 EP disclosed
EP-2464621-B1 METHOD FOR PREPARING POLYAMINE COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-05 EP disclosed
US-20120202934-A1 METHOD FOR PREPARING POLYAMINE COMPOUNDS ADVANCION CORPORATION 2012-08-09 US disclosed
US-20120202934-A1 METHOD FOR PREPARING POLYAMINE COMPOUNDS ADVANCION CORPORATION 2012-08-09 US disclosed
US-20120202934-A1 METHOD FOR PREPARING POLYAMINE COMPOUNDS ADVANCION CORPORATION 2012-08-09 US disclosed
EP-2464621-A1 METHOD FOR PREPARING POLYAMINE COMPOUNDS Dow Global Technologies LLC (US) 2012-06-20 EP disclosed
WO-2011044478-A1 METHOD FOR PREPARING POLYAMINE COMPOUNDS DOW GLOBAL TECHNOLOGIES, INC. (US) 2011-04-14 WO 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-20120202934-A1 METHOD FOR PREPARING POLYAMINE COMPOUNDS SRM, C5, PRMT5 ALDH1A1 2921/4885KDM4E 193/4885LMNA 1555/4885

“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.