SCHEMBL6839720

SCHEMBL6839720

CC(=O)CCCCCC[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
PAOX Q6QHF9 5/20 0.48
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
BLM P54132 1/20 0.44
HBB P68871 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 1/20 0.38
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
SLC15A2 Q16348 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
SCHEMBL9455702 1.00 ALDH1A1 (0.54) ALDH1A1PAOXLMNAMEN1BLM
SCHEMBL3022984 0.98 ALDH1A1 (0.50) ALDH1A1PAOXLMNAMEN1BLM
SCHEMBL856486 0.91
SCHEMBL9680510 0.81 ALDH1A1 (0.52) ALDH1A1LMNAMEN1BLMHBB
SCHEMBL2999774 0.80
SCHEMBL11701621 0.79 LMNA (0.65) ALDH1A1LMNAMEN1BLMHBB
SCHEMBL2380101 0.79 LMNA (0.65) ALDH1A1LMNAMEN1BLMHBB
SCHEMBL1119124 0.79 LMNA (0.65) ALDH1A1LMNAMEN1BLMHBB
SCHEMBL2372027 0.79 LMNA (0.65) ALDH1A1LMNAMEN1BLMHBB
SCHEMBL11879024 0.79 ALDH1A1 (0.50) ALDH1A1LMNAMEN1BLMHBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-12 US disclosed
EP-1340780-A1 METAL CATALYST FOR RING-OPENING POLYMERIZATION OF HETEROCYCLIC COMPOUND SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-03 EP 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-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound MAX, PCNA, POLM ALDH1A1 2856/4885PAOX 112/4885LMNA 884/4885

“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.