SCHEMBL14098877

SCHEMBL14098877

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

nearest known ligand 0.89

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 1/20 0.89
▸ HSP90AA1 P07900 4/20 0.48
▸ HIF1A Q16665 12/20 0.45
▸ EPAS1 Q99814 4/20 0.45
▸ HTT P42858 1/20 0.41
▸ ODC1 P11926 1/20 0.41
▸ PDE4B Q07343 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE7A Q13946 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ PDE7B Q9NP56 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
SCHEMBL14139185 0.94 COXFA4 (1.00) COXFA4HSP90AA1HIF1AEPAS1HTT
SCHEMBL12315602 0.90 COXFA4 (0.84) COXFA4HSP90AA1HIF1AEPAS1
SCHEMBL14098881 0.88 COXFA4 (0.74) COXFA4HSP90AA1HIF1AEPAS1
SCHEMBL14139261 0.86 COXFA4 (0.81) COXFA4HSP90AA1HIF1AEPAS1
SCHEMBL14666280 0.83 COXFA4 (0.61) COXFA4HSP90AA1HIF1AEPAS1ODC1
SCHEMBL12315552 0.79 COXFA4 (0.74) COXFA4HSP90AA1HIF1A
SCHEMBL14666128 0.79 COXFA4 (0.58) COXFA4HSP90AA1HIF1AEPAS1ODC1
SCHEMBL12315607 0.77 HIF1A (0.56) COXFA4HSP90AA1HIF1AEPAS1ODC1
SCHEMBL12315469 0.76 COXFA4 (0.66) COXFA4HIF1AEPAS1
SCHEMBL12315566 0.76 COXFA4 (0.68) COXFA4HSP90AA1HIF1AHTTODC1

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 2 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-7410998-B2 Inhibitors of NADH:ubiquinone oxidoreductase THE SCRIPPS RESEARCH INSTITUTE (US) 2008-08-12 — — 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 (1 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-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 COXFA4 2119/4885HSP90AA1 1970/4885HIF1A 887/4885

“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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