SCHEMBL3456565

SCHEMBL3456565

COc1cc(C(CO)Sc2ccc(O)cc2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
TUBB4A P04350 6/20 0.42
TUBB P07437 6/20 0.42
TUBA3C P0DPH7 6/20 0.42
TUBA1B P68363 6/20 0.42
TUBA4A P68366 6/20 0.42
TUBB4B P68371 6/20 0.42
TUBB3 Q13509 6/20 0.42
TUBB2A Q13885 6/20 0.42
TUBB8 Q3ZCM7 6/20 0.42
TUBA3E Q6PEY2 6/20 0.42
TUBA1A Q71U36 6/20 0.42
TUBA1C Q9BQE3 6/20 0.42
TUBB6 Q9BUF5 6/20 0.42
TUBB2B Q9BVA1 6/20 0.42
TUBB1 Q9H4B7 6/20 0.42
ALOX5 P09917 1/20 0.41
TSHR P16473 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL14666250 0.83 CYP3A4 (0.36) CYP3A4TSHRGAAKDM4EMGAM
SCHEMBL12315570 0.78 ALOX5 (0.35) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3456721 0.75 KMT2A (0.42) CYP3A4MAPTTUBB4ATUBBTUBA3C
SCHEMBL3458345 0.73 COXFA4 (0.51)
SCHEMBL8948484 0.72 LMNA (0.40) ALDH1A1LMNASMN1; SMN2
SCHEMBL9239785 0.70 ESR1 (0.57) CYP3A4MAPTTUBB4ATUBBTUBA3C
SCHEMBL8529307 0.70 PTGS2 (0.50) CYP3A4MAPTTUBB4ATUBBTUBA3C
SCHEMBL3234111 0.68 ESR1 (0.52) CYP3A4MAPTTSHRKDM4EALDH1A1
SCHEMBL7927826 0.68 CYP3A4 (0.61) CYP3A4MAPTTUBB4ATUBBTUBA3C
SCHEMBL8173411 0.66 MAPT (0.47) CYP3A4MAPTTUBB4ATUBBTUBA3C

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 CYP3A4 3831/4885MAPT 4043/4885TUBB4A 2677/4885
US-20050244332-A1 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 CYP3A4 3831/4885MAPT 4043/4885TUBB4A 2677/4885
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CYP3A4 3831/4885MAPT 4043/4885TUBB4A 2677/4885

“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.