SCHEMBL3771398

SCHEMBL3771398

CC1(C)C[CH]C(N)C(C)(C)N1O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL10597667 0.67 GAA (0.41) GAAL3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL18545708 0.65 GAA (0.56) GAAL3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL377190 0.65 GAA (0.56) GAAL3MBTL1KDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL7607254 0.65 GAA (0.40) GAAL3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL563891 0.63 GAA (0.35) GAAL3MBTL1ALDH1A1
SCHEMBL13060033 0.62 GAA (0.52) GAAL3MBTL1
SCHEMBL19186311 0.59 GAA (0.43) GAAL3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL4449961 0.59 GAA (0.60) GAAL3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL3622381 0.59 GAA (0.32) GAAL3MBTL1
SCHEMBL143973 0.59 GAA (0.48) GAAL3MBTL1KDM4EALDH1A1

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
US-20100310471-A1 ANTIOXIDANT AND PARAMAGNETIC HEPARIN-NITROXIDE DERIVATIVES Johannes Gutenberg-Universität Mainz (DE) 2010-12-09 US claimed
WO-2009027056-A2 ANTIOXIDANT AND PARAMAGNETIC HEPARIN-NITROXIDE DERIVATIVES JOHANNES GUTENBERG-UNIVERSITÄT MAINZ vertreten durch den Präsidenten (DE) 2009-03-05 WO claimed
EP-2030624-A1 Antioxidant and paramagnetic heparin-nitroxide derivatives Johannes Gutenberg Universität (DE) 2009-03-04 EP claimed
US-20100310471-A1 ANTIOXIDANT AND PARAMAGNETIC HEPARIN-NITROXIDE DERIVATIVES Johannes Gutenberg-Universität Mainz (DE) 2010-12-09 US disclosed
WO-2009027056-A2 ANTIOXIDANT AND PARAMAGNETIC HEPARIN-NITROXIDE DERIVATIVES JOHANNES GUTENBERG-UNIVERSITÄT MAINZ vertreten durch den Präsidenten (DE) 2009-03-05 WO disclosed
EP-2030624-A1 Antioxidant and paramagnetic heparin-nitroxide derivatives Johannes Gutenberg Universität (DE) 2009-03-04 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-20100310471-A1 ANTIOXIDANT AND PARAMAGNETIC HEPARIN-NITROXIDE DERIVATIVES PRDX3, PRDX5, PRDX1 GAA 580/4885L3MBTL1 3110/4885KDM4E 1728/4885

“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.