SCHEMBL2594876

SCHEMBL2594876

CCC(=O)NC1CC(C)(C)N([O])C(C)(C)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
CA1 P00915 7/20 0.39
CA2 P00918 7/20 0.39
CA9 Q16790 7/20 0.39
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL2594522 0.86 MAOB (0.47) MAOBCA1CA2CA9GAA
SCHEMBL4900433 0.85 GAA (0.48) MAOBCA1CA2CA9GAA
SCHEMBL8771887 0.85 MAOB (0.37) MAOBCA1CA2CA9GAA
SCHEMBL1463813 0.84 MAOB (0.48) MAOBCA1CA2CA9GAA
SCHEMBL1933227 0.84 MAOB (0.48) MAOBCA1CA2CA9GAA
SCHEMBL2302250 0.84 MAOB (0.48) MAOBCA1CA2CA9GAA
SCHEMBL30071045 0.81 ALDH1A1 (0.50) MAOBCA1CA2CA9GAA
SCHEMBL9403390 0.80 GNAI3 (0.52) MAOBKMT2AMEN1MAPT
SCHEMBL6258606 0.80 GNAI3 (0.52) MAOBKMT2AMEN1MAPT
SCHEMBL6258210 0.80 GNAI3 (0.52) MAOBKMT2AMEN1MAPT

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-8454799-B2 Pulp composition for paper and solid board production BASF SE (DE) 2013-06-04 US disclosed
EP-2567024-A1 FIBROUS COMPOSITION FOR PAPER AND CARD PRODUCTION BASF SE (DE) 2013-03-13 EP disclosed
WO-2011138366-A1 FIBROUS COMPOSITION FOR PAPER AND CARD PRODUCTION BASF SE (DE) 2011-11-10 WO disclosed
US-20080064899-A1 Method For Producing Alpha, Beta-Unsaturated Carboxylic Acid KAWATO SEIICHI 2008-03-13 US disclosed
US-6710204-B2 N-OXYL COMPOUND CONTAINED IN AN EASILY POLYMERIZABLE MATERIAL CAN BE SUFFICIENTLY DECREASED AND LOSS OF EASILY POLYMERIZABLE MATERIAL (ACRYLIC OR METHACRYLIC ACIDS OR THEIR ESTERS) IS LITTLE MITSUBISHI RAYON CO., LTD. (JP) 2004-03-23 US disclosed
US-20030078425-A1 Decreasing method of N-oxyl compound MITSUBISHI RAYON CO., LTD. (JP) 2003-04-24 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-20030078425-A1 Decreasing method of N-oxyl compound NOC2L, LOXL2, VCL MAOB 81/4885CA1 1210/4885CA2 2714/4885

“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.