SCHEMBL3456779

SCHEMBL3456779

COC(=O)Cc1cc(OC)c(O)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.63
ALOX5 P09917 3/20 0.59
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
PKM P14618 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 5/20 0.49
ALDH1A1 P00352 3/20 0.49
GFER P55789 1/20 0.49
MET P08581 2/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL28002484 0.88 HSP90AB1 (0.54) HSP90AB1ALOX5CA1CA2LMNA
SCHEMBL1525224 0.88 HSP90AB1 (0.54) HSP90AB1ALOX5GAAALDH1A1GFER
SCHEMBL11215998 0.88 ALDH1A1 (0.58) HSP90AB1ALOX5GAAALDH1A1GFER
SCHEMBL14666331 0.87 HSP90AB1 (0.53) HSP90AB1ALOX5LMNAGAAALDH1A1
SCHEMBL7131019 0.85 KMT2A (0.58) HSP90AB1LMNAGAAALDH1A1TDP1
SCHEMBL28708164 0.84 ALOX5 (0.56) ALOX5CA12CA1CA2CA3
SCHEMBL2913406 0.82 LMNA (0.57) ALOX5CA12CA1CA2CA3
SCHEMBL1278855 0.82 GAA (0.66) ALOX5CA12CA1CA2CA3
SCHEMBL490925 0.81 ALOX5 (0.62) ALOX5CA12CA1CA2CA3
SCHEMBL5690995 0.81 HSP90AB1 (0.54) HSP90AB1ALOX5GAAALDH1A1GFER

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 23 patents — showing the first 20. 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-7541383-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2009-06-02 US disclosed
US-7541383-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2009-06-02 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
US-20080085891-A1 Asthma and allergic inflammation modulators FU ZICE 2008-04-10 US disclosed
US-20080085891-A1 Asthma and allergic inflammation modulators FU ZICE 2008-04-10 US disclosed
US-7321001-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2008-01-22 US disclosed
US-7321001-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2008-01-22 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-20080085891-A1 Asthma and allergic inflammation modulators IL5, TSLP, CYSLTR2 HSP90AB1 2294/4885ALOX5 38/4885CA12 1744/4885
US-20050244332-A1 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 HSP90AB1 1297/4885ALOX5 2982/4885CA12 1070/4885
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 HSP90AB1 1297/4885ALOX5 2982/4885CA12 1070/4885

“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.