SCHEMBL1782631

SCHEMBL1782631

CC(=O)C1C(=O)CC(c2ccco2)CC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 9/20 0.56
TDP1 Q9NUW8 6/20 0.56
MAPT P10636 5/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
RECQL P46063 3/20 0.56
APOBEC3A P31941 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
KMT2A Q03164 6/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 8/20 0.46
ALOX15 P16050 4/20 0.46
HSD17B10 Q99714 4/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALOX12 P18054 2/20 0.46
SHMT2 P34897 1/20 0.45
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.42

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
SCHEMBL12648261 0.84 POLB (0.54) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL12648392 0.83 POLB (0.52) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL14867405 0.81 POLB (0.54) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL14867412 0.81 POLB (0.53) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL12648141 0.80 POLB (0.52) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL12648387 0.79 POLB (0.51) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL1766124 0.77 KMT2A (0.51) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL11162120 0.77 MAPT (0.46) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL1177894 0.76 POLB (0.62) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL11158070 0.74 ALDH1A1 (0.46) POLBTDP1MAPTL3MBTL1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846747-B2 Compounds and methods for altering lifespan of eukaryotic organisms UNIVERSITY OF ROCHESTER (US) 2014-09-30 US claimed
CN-101831486-A Application of mycobacterium tuberculosis Rv1354c gene as medicament target UNIV HUAZHONG AGRICULTURAL 2010-09-15 CN claimed
US-8846747-B2 Compounds and methods for altering lifespan of eukaryotic organisms UNIVERSITY OF ROCHESTER (US) 2014-09-30 US disclosed
US-8846747-B2 Compounds and methods for altering lifespan of eukaryotic organisms UNIVERSITY OF ROCHESTER (US) 2014-09-30 US disclosed
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US disclosed
US-20130096175-A1 Compounds and Methods for Altering Lifespan of Eukaryotic Organisms SOUTHERN RESEARCH INSTITUTE (US) 2013-04-18 US disclosed
US-20130096175-A1 Compounds and Methods for Altering Lifespan of Eukaryotic Organisms SOUTHERN RESEARCH INSTITUTE (US) 2013-04-18 US disclosed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP disclosed
WO-2011062964-A1 COMPOUNDS AND METHODS FOR ALTERING LIFESPAN OF EUKARYOTIC ORGANISMS UNIVERSITY OF ROCHESTER (US) 2011-05-26 WO disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
CN-101831486-A Application of mycobacterium tuberculosis Rv1354c gene as medicament target UNIV HUAZHONG AGRICULTURAL 2010-09-15 CN disclosed
EP-2144889-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC S.r.l. (IT) 2010-01-20 EP disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 WO disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 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 (2 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-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 POLB 1554/4885TDP1 287/4885MAPT 296/4885
US-20130096175-A1 Compounds and Methods for Altering Lifespan of Eukaryotic Organisms HDAC5, AADAC, SIRT1 POLB 2377/4885TDP1 1113/4885MAPT 2167/4885

“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.