SCHEMBL1869841

SCHEMBL1869841

COC(=O)c1ccc(CC(C(C)=O)C(C)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
CYP4A11 Q02928 2/20 0.53
CYP4F2 P78329 1/20 0.51
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LDHA P00338 1/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL6310915 0.92 LOXL2 (0.53) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL9231249 0.88 MMP8 (0.50) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL2692900 0.87 LDHA (0.62) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL20168295 0.86 LOXL2 (0.58) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL24934349 0.84 LOXL2 (0.56) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL9317096 0.82 LDHA (0.52) KMT2ALDHATSHR
SCHEMBL2331067 0.82 LOXL2 (0.58) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL15772079 0.81 LOXL2 (0.61) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL765010 0.81 LOXL2 (0.61) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL28332902 0.81 MMP8 (0.54) LOXL2CYP4A11CYP4F2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935847-B2 Nitroxyl ion source with second order reaction nitroxyl release DUKE UNIVERSITY (US) 2011-05-03 US disclosed
US-7935847-B2 Nitroxyl ion source with second order reaction nitroxyl release DUKE UNIVERSITY (US) 2011-05-03 US disclosed
US-7935847-B2 Nitroxyl ion source with second order reaction nitroxyl release DUKE UNIVERSITY (US) 2011-05-03 US disclosed
US-20100094060-A1 NITROXYL ION SOURCE WITH SECOND ORDER REACTION NITROXYL RELEASE DUKE UNIVERSITY (US) 2010-04-15 US disclosed
US-20100094060-A1 NITROXYL ION SOURCE WITH SECOND ORDER REACTION NITROXYL RELEASE DUKE UNIVERSITY (US) 2010-04-15 US disclosed
US-20100094060-A1 NITROXYL ION SOURCE WITH SECOND ORDER REACTION NITROXYL RELEASE DUKE UNIVERSITY (US) 2010-04-15 US disclosed
WO-2008130566-A1 NITROXYL ION SOURCE WITH SECOND ORDER REACTION NITROXYL RELEASE DUKE UNIVERSITY (US) 2008-10-30 WO disclosed
WO-2008130566-A1 NITROXYL ION SOURCE WITH SECOND ORDER REACTION NITROXYL RELEASE DUKE UNIVERSITY (US) 2008-10-30 WO disclosed
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 WO disclosed
US-5453514-A Diabetes YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-09-26 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-20100094060-A1 NITROXYL ION SOURCE WITH SECOND ORDER REACTION NITROXYL RELEASE NOS2, NOS1, NOS3 LOXL2 1409/4885CYP4A11 271/4885CYP4F2 825/4885

“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.