SCHEMBL5706512

SCHEMBL5706512

CC(C)(C(N)=O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.43
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
ELANE P08246 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SCN2A Q99250 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL5706500 0.82 CA12 (0.47) KMT2ALMNACA12CA9ALDH1A1
SCHEMBL9603154 0.80 ELANE (0.46) KMT2AMAPTLMNAELANEALDH1A1
SCHEMBL5706502 0.80 CA12 (0.41) KMT2ALMNACA12CA9ELANE
SCHEMBL16168978 0.78 CASP3 (0.41) KMT2ACA12CA9ELANEALDH1A1
SCHEMBL10496308 0.78 CASP3 (0.41) KMT2ALMNACA12CA9ELANE
SCHEMBL9944717 0.77 CASP3 (0.43) KMT2ALMNACA12CA9ALDH1A1
SCHEMBL3275912 0.77 CASP3 (0.43) KMT2AELANEALDH1A1POLBCASP3
SCHEMBL19407448 0.77 MEN1 (0.40) KMT2ALMNAHSD17B10POLBMEN1
SCHEMBL30472938 0.76 CASP3 (0.46) KMT2AMAPTALDH1A1POLBCASP3
SCHEMBL2156119 0.76 CASP3 (0.46) KMT2AMAPTALDH1A1POLBCASP3

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
EP-1311493-B1 SYNTHESIS OF MACROCYCLIC TETRAAMIDO LIGANDS USEFUL AS BLEACHING CATALYSTS UNIV CARNEGIE MELLON (US) 2006-11-02 EP disclosed
US-6992184-B2 Macrocyclic tetraamido ligands as bleaching catalysts and synthesis thereof CARNEGIE MELLON UNIVERSITY (US) 2006-01-31 US disclosed
US-20030168630-A1 Macrocyclic tetraamido ligands as bleaching catalysts and synthesis thereof CARNEGIE MELLON UNIVERSITY 2003-09-11 US disclosed
EP-1311493-A1 MACROCYCLIC TETRAAMIDO LIGANDS AS BLEACHING CATALYSTS AND SYNTHESIS THEREOF UNILEVER PLC (GB) 2003-05-21 EP disclosed
WO-2002016330-A1 MACROCYCLIC TETRAAMIDO LIGANDS AS BLEACHING CATALYSTS AND SYNTHESIS THEREOF UNILEVER PLC (GB) 2002-02-28 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-20030168630-A1 Macrocyclic tetraamido ligands as bleaching catalysts and synthesis thereof TYR, TBCB, PPOX KMT2A 1675/4885MAPT 1699/4885LMNA 4079/4885

“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.