SCHEMBL973673

SCHEMBL973673

CCOC(=O)C(CC(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.69
NPC1 O15118 2/20 0.69
MEN1 O00255 1/20 0.69
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.47
MMP8 P22894 1/20 0.47
MDM2 Q00987 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 1/20 0.45
PIN1 Q13526 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL8532867 0.93 KMT2A (0.60) KMT2ANPC1MEN1POLBNPSR1
SCHEMBL6014923 0.92 KMT2A (0.75) KMT2ANPC1MEN1POLBNPSR1
SCHEMBL3030211 0.92 KMT2A (0.58) KMT2ANPC1MEN1POLBNPSR1
SCHEMBL29114074 0.92 KMT2A (0.58) KMT2ANPC1MEN1POLBNPSR1
SCHEMBL10830586 0.90 KMT2A (0.73) KMT2ANPC1MEN1POLBNPSR1
SCHEMBL8775304 0.89 KMT2A (0.57) KMT2ANPC1MEN1TDP1TSHR
SCHEMBL1156528 0.87 KMT2A (0.69) KMT2ANPC1MEN1POLBNPSR1
SCHEMBL4666968 0.87 MEN1 (0.55) KMT2ANPC1MEN1TDP1TSHR
SCHEMBL3494511 0.87 KMT2A (0.55) KMT2ANPC1MEN1TDP1TSHR
SCHEMBL1437086 0.86 KMT2A (0.56) KMT2ANPC1MEN1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947636-A Preparation method of 2-acyl-4-oxo-butyrate derivative 华侨大学 2023-10-27 CN disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed
US-6706891-B2 COMPRISES CONVERSION OF OXALAMIDE TO DITHIOOXALAMIDE, FOLLOWED BY CONVERSION OF THE DITHIOOXALAMIDE TO EITHER A 4,5-BISIMINO-(1,3)DITHIOLANE OR 2,3-BISIMINO-(1,4)DITHIANE EASTMAN CHEMICAL COMPANY 2004-03-16 US disclosed
EP-1334097-A2 PROCESS FOR THE PREPARATION OF LIGANDS FOR OLEFIN POLYMERIZATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2003-08-13 EP disclosed
US-20030013894-A1 Process for the preparation of ligands for olefin polymerization catalysts E. I. DU PONT DE NEMOURS AND COMPANY 2003-01-16 US disclosed
WO-2002036585-A2 PROCESS FOR THE PREPARATION OF LIGANDS FOR OLEFIN POLYMERIZATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2002-05-10 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 (3 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 KMT2A 60/4885NPC1 1513/4885MEN1 3189/4885
US-20030013894-A1 Process for the preparation of ligands for olefin polymerization catalysts OCIAD1, OXER1, SULT1E1 KMT2A 2949/4885NPC1 3663/4885MEN1 1773/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 KMT2A 60/4885NPC1 1513/4885MEN1 3189/4885

“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.