SCHEMBL3456340

SCHEMBL3456340

COc1cc(C(OS(=O)(=O)c2ccc(C)cc2)C(=O)c2ccc3c(c2)CCC(C)(C)O3)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COXFA4 O00483 1/20 0.50
HSP90AA1 P07900 2/20 0.40
PKM P14618 2/20 0.38
DAGLA Q9Y4D2 5/20 0.38
GHSR Q92847 1/20 0.37
MAPT P10636 1/20 0.37
PLCG2 P16885 1/20 0.37
ABHD6 Q9BV23 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE10A Q9Y233 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PKLR P30613 1/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14666304 0.88 COXFA4 (0.40) COXFA4HSP90AA1PKMDAGLAGHSR
SCHEMBL3456600 0.81 COXFA4 (0.59) COXFA4HSP90AA1PKMDAGLAGHSR
SCHEMBL12315473 0.81 COXFA4 (0.59) COXFA4HSP90AA1PKMDAGLAGHSR
SCHEMBL3456099 0.80 COXFA4 (0.52) COXFA4HSP90AA1
SCHEMBL12315585 0.80 COXFA4 (0.60) COXFA4HSP90AA1DAGLAGHSRPDE10A
SCHEMBL13071770 0.79 COXFA4 (0.59) COXFA4HSP90AA1DAGLAGHSRPDE10A
SCHEMBL3456766 0.79 COXFA4 (0.59) COXFA4HSP90AA1DAGLAGHSRPDE10A
SCHEMBL13071316 0.74 COXFA4 (0.53) COXFA4HSP90AA1DAGLAGHSRABHD6
SCHEMBL12315610 0.73 COXFA4 (0.47) COXFA4HSP90AA1PKMDAGLAGHSR
SCHEMBL3456476 0.71 COXFA4 (0.77) COXFA4HSP90AA1DAGLAGHSRMAPT

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
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2013-01-31 US disclosed
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2013-01-31 US disclosed
US-8263042-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-09-11 US disclosed
US-8263042-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-09-11 US disclosed
US-8263042-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-09-11 US disclosed
EP-2253333-A2 Contrast Agents for Myocardial Perfusion Imaging Lantheus Medical Imaging, Inc. (US) 2010-11-24 EP disclosed
EP-2253333-A2 Contrast Agents for Myocardial Perfusion Imaging Lantheus Medical Imaging, Inc. (US) 2010-11-24 EP disclosed
EP-1740225-A4 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
US-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING CITIZENS BANK, N.A. 2009-04-23 US disclosed
US-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING CITIZENS BANK, N.A. 2009-04-23 US disclosed
US-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING CITIZENS BANK, N.A. 2009-04-23 US disclosed
US-7485283-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING (US) 2009-02-03 US disclosed
US-7485283-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING (US) 2009-02-03 US disclosed
US-7485283-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING (US) 2009-02-03 US disclosed
EP-1740225-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005105159-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-10 WO disclosed
US-20050244332-A1 Contrast agents for myocardial perfusion imaging CITIZENS BANK, N.A. 2005-11-03 US 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-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 COXFA4 2119/4885HSP90AA1 1970/4885PKM 2633/4885
US-20050244332-A1 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 COXFA4 2119/4885HSP90AA1 1970/4885PKM 2633/4885
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 COXFA4 2119/4885HSP90AA1 1970/4885PKM 2633/4885

“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.