SCHEMBL4552022

SCHEMBL4552022

COc1cc(CC(=O)c2ccc3c(c2)C(F)CC(C)(C)O3)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.55
COXFA4 O00483 2/20 0.50
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 5/20 0.41
EDNRB P24530 2/20 0.39
EDNRA P25101 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL12315470 1.00 HSP90AA1 (0.55) HSP90AA1COXFA4LMNAHTTMAPT
SCHEMBL3455801 0.89 HSP90AA1 (0.57) HSP90AA1COXFA4LMNAHTTMAPT
SCHEMBL13071769 0.89 HSP90AA1 (0.43) HSP90AA1COXFA4LMNAHTTMAPT
SCHEMBL12315611 0.89 HSP90AA1 (0.43) HSP90AA1COXFA4LMNAHTTMAPT
SCHEMBL12315569 0.87 COXFA4 (0.59) HSP90AA1COXFA4LMNAHTTMAPT
SCHEMBL14666021 0.86 HSP90AA1 (0.41) HSP90AA1COXFA4LMNAHTTMAPT
SCHEMBL14666190 0.86 HSP90AA1 (0.41) HSP90AA1COXFA4LMNAHTTMAPT
SCHEMBL3469418 0.81 HSP90AA1 (0.49) HSP90AA1COXFA4LMNAHTTMAPT
SCHEMBL3456476 0.80 COXFA4 (0.77) HSP90AA1COXFA4LMNAHTTMAPT
SCHEMBL3456531 0.79 HSP90AA1 (0.47) HSP90AA1COXFA4LMNAHTTMAPT

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 12 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
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
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 2119/4885LMNA 3348/4885
US-20050244332-A1 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 HSP90AA1 1970/4885COXFA4 2119/4885LMNA 3348/4885
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 HSP90AA1 1970/4885COXFA4 2119/4885LMNA 3348/4885

“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.