SCHEMBL5517575

SCHEMBL5517575

O=C(O)CCCn1ccc(=O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
TYR P14679 1/20 0.53
DOHH Q9BU89 1/20 0.53
MAOB P27338 1/20 0.43
FABP4 P15090 2/20 0.42
FABP5 Q01469 2/20 0.42
COMT P21964 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TBXAS1 P24557 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 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
SCHEMBL9704932 0.95 TYR (0.51) KDM4ETYRDOHHMAOBFABP4
SCHEMBL6348803 0.90 TYR (0.55) KDM4ETYRDOHHMAOBFABP4
SCHEMBL9700040 0.79 TYR (0.58) KDM4ETYRDOHHMAOBCOMT
SCHEMBL16088174 0.78 NPC1 (0.47) KDM4ETYRDOHHMAOBCA12
SCHEMBL30982680 0.77 NPC1 (0.49) KDM4ETYRDOHHMAPK1PTGS1
SCHEMBL30983057 0.77 NPC1 (0.49) KDM4ETYRDOHHMAPK1PTGS1
SCHEMBL30982965 0.77 NPC1 (0.49) KDM4ETYRDOHHMAPK1PTGS1
SCHEMBL10924548 0.75 TYR (0.50) KDM4ETYRDOHHMAOBCOMT
SCHEMBL17128963 0.75 DOHH (0.50) KDM4ETYRDOHHMAOBCOMT
SCHEMBL17267401 0.71 TBXAS1 (0.46) KDM4EFABP4FABP5TBXAS1PTGS1

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
CN-100515928-C Composition comprising an oxidizing and complexing compound AIR PROD & CHEM (US) 2009-07-22 CN disclosed
US-7160482-B2 Composition comprising an oxidizing and complexing compound IMEC VZW (BE) 2007-01-09 US disclosed
EP-1345848-B1 COMPOSITION COMPRISING AN OXIDIZING AND COMPLEXING COMPOUND IMEC INTER UNI MICRO ELECTR (BE) 2006-07-12 EP disclosed
US-20050009207-A1 Composition comprising an oxidizing and complexing compound VERSUM MATERIALS US, LLC 2005-01-13 US disclosed
CN-1486279-A Composition comprising oxidizing and complexing compounds ��ʲ 2004-03-31 CN 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-20050009207-A1 Composition comprising an oxidizing and complexing compound C5, SCO2, NOX4 KDM4E 2769/4885TYR 191/4885DOHH 1090/4885

“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.