SCHEMBL12315469

SCHEMBL12315469

CC1(C)C=Cc2cc(C(=O)OCc3ccc(C(C)(C)C)cc3)ccc2O1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 1/20 0.66
▸ TLR3 O15455 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HIF1A Q16665 8/20 0.40
▸ EPAS1 Q99814 8/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NR4A2 P43354 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ EP300 Q09472 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTPN1 P18031 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
SCHEMBL12315467 0.82 COXFA4 (0.46) COXFA4TLR3NPC1RAB9ATDP1
SCHEMBL13071290 0.82 COXFA4 (0.46) COXFA4TLR3NPC1RAB9ATDP1
SCHEMBL14139261 0.82 COXFA4 (0.81) COXFA4HIF1AEPAS1EP300
SCHEMBL14098881 0.80 COXFA4 (0.74) COXFA4HIF1AEPAS1EP300
SCHEMBL14139185 0.80 COXFA4 (1.00) COXFA4HIF1AEPAS1
SCHEMBL12315602 0.80 COXFA4 (0.84) COXFA4HIF1AEPAS1EP300
SCHEMBL12315466 0.79 COXFA4 (0.46) COXFA4TDP1HIF1AEPAS1ALDH1A1
SCHEMBL14098877 0.76 COXFA4 (0.89) COXFA4HIF1AEPAS1
SCHEMBL27665986 0.76 COXFA4 (0.57) COXFA4TLR3TDP1HIF1AEPAS1
SCHEMBL11398330 0.76 COXFA4 (0.62) COXFA4NPC1RAB9ATDP1HIF1A

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 5 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 2119/4885TLR3 3578/4885NPC1 350/4885
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 COXFA4 2119/4885TLR3 3578/4885NPC1 350/4885

“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.

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