SCHEMBL5399043

SCHEMBL5399043

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
BLM P54132 1/20 0.48
HBB P68871 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.36
HAO1 Q9UJM8 1/20 0.31

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
SCHEMBL30757517 0.89
SCHEMBL27939233 0.78 MEN1 (0.65) MEN1LMNABLMHBBKMT2A
SCHEMBL27907610 0.76 GAA (0.50) MEN1LMNABLMHBBKMT2A
SCHEMBL6073675 0.76 ALDH1A1 (0.52) MEN1LMNABLMHBBKMT2A
SCHEMBL5593734 0.73
SCHEMBL15013922 0.72 ALDH1A1 (0.56) MEN1LMNABLMHBBKMT2A
SCHEMBL93369 0.72
SCHEMBL451525 0.71 TDP1 (0.50) ALDH1A1TDP1TSHRHAO1
SCHEMBL10050986 0.70 FAAH (0.52) MEN1LMNABLMHBBKMT2A
SCHEMBL9015855 0.69 TDP1 (0.64) MEN1KMT2AALDH1A1TDP1TSHR

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-7238820-B2 Fluorine-free metallic complexes for gas-phase chemical metal deposition CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-07-03 US disclosed
EP-1551851-B1 FLUORINE-FREE METALLIC COMPLEXES FOR GAS-PHASE CHEMICAL METAL DEPOSITION CENTRE NAT RECH SCIENT (FR) 2006-08-02 EP disclosed
US-20060121709-A1 Fluorine-free metallic complexes for gas-phase chemical metal deposition CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-06-08 US disclosed
EP-1551851-A1 FLUORINE-FREE METALLIC COMPLEXES FOR GAS-PHASE CHEMICAL METAL DEPOSITION Centre National De La Recherche Scientifique (FR) 2005-07-13 EP disclosed
WO-2004029061-A1 FLUORINE-FREE METALLIC COMPLEXES FOR GAS-PHASE CHEMICAL METAL DEPOSITION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2004-04-08 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-20060121709-A1 Fluorine-free metallic complexes for gas-phase chemical metal deposition SOD1, FUS, AFF2 MEN1 1252/4885LMNA 4226/4885BLM 1260/4885

“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.