SCHEMBL5706502

SCHEMBL5706502

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
ELANE P08246 1/20 0.37

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) CA12CA9ALDH1A1HBBHSD17B10
SCHEMBL11611823 0.80 ELANE (0.42) CA12CA9ALDH1A1HSD17B10LMNA
SCHEMBL14477084 0.80 CA12 (0.40) CA12CA9ALDH1A1HBBHSD17B10
SCHEMBL5706512 0.80 KMT2A (0.44) CA12CA9ALDH1A1HBBHSD17B10
SCHEMBL22926344 0.79 POLB (0.37) CA12CA9ALDH1A1HBBHSD17B10
SCHEMBL9944717 0.77 CASP3 (0.43) CA12CA9ALDH1A1HBBHSD17B10
SCHEMBL2156119 0.76 CASP3 (0.46) ALDH1A1CASP3MEN1KMT2ANPC1
SCHEMBL30472938 0.76 CASP3 (0.46) ALDH1A1CASP3MEN1KMT2ANPC1
SCHEMBL15033556 0.76 LMNA (0.40) CA12CA9ALDH1A1HBBHSD17B10
SCHEMBL10335755 0.76 ALDH1A1 (0.43) CA12CA9ALDH1A1HBBHSD17B10

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 7 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
EP-0333938-B1 2-HYDROXY-3-ARYLOXY-PROPYLAMINE DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ZAMBON GROUP S.p.A. (IT) 1993-04-14 EP disclosed
EP-0333938-A1 2-Hydroxy-3-aryloxy-propylamine derivatives having cardiovascular activity ZAMBON GROUP S.p.A. (IT) 1989-09-27 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-20030168630-A1 Macrocyclic tetraamido ligands as bleaching catalysts and synthesis thereof TYR, TBCB, PPOX CA12 3429/4885CA9 4224/4885ALDH1A1 2858/4885

“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.