SCHEMBL3469418

SCHEMBL3469418

COc1cc(CC(=O)c2ccc3c(c2)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)O3)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.49
COXFA4 O00483 2/20 0.45
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
HIF1A Q16665 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
NPC1 O15118 1/20 0.34
KMT2A Q03164 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
SCHEMBL14666020 0.88 HSP90AA1 (0.38) HSP90AA1COXFA4HTTMAPTLMNA
SCHEMBL3455801 0.83 HSP90AA1 (0.57) HSP90AA1COXFA4HTTMAPTLMNA
SCHEMBL12315586 0.81 HSP90AA1 (0.37) HSP90AA1COXFA4HTTMAPTALDH1A1
SCHEMBL4552022 0.81 HSP90AA1 (0.55) HSP90AA1COXFA4HTTMAPTLMNA
SCHEMBL12315470 0.81 HSP90AA1 (0.55) HSP90AA1COXFA4HTTMAPTLMNA
SCHEMBL3456531 0.79 HSP90AA1 (0.47) HSP90AA1COXFA4HTTMAPTLMNA
SCHEMBL3456476 0.74 COXFA4 (0.77) HSP90AA1COXFA4HTTMAPTLMNA
SCHEMBL12315587 0.72 BACE1 (0.32) HTTLMNAALDH1A1
SCHEMBL14666311 0.72 HSP90AA1 (0.44) HSP90AA1COXFA4HTTMAPTLMNA
SCHEMBL12315611 0.71 HSP90AA1 (0.43) HSP90AA1COXFA4HTTMAPTLMNA

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 13 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
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-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 HSP90AA1 1970/4885COXFA4 2119/4885HTT 4145/4885
US-20050244332-A1 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 HSP90AA1 1970/4885COXFA4 2119/4885HTT 4145/4885
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 HSP90AA1 1970/4885COXFA4 2119/4885HTT 4145/4885

“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.