SCHEMBL12315566

SCHEMBL12315566

COc1cc(COC(=O)c2cc([18F])c3c(c2)C=CC(C)(C)O3)cc(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 1/20 0.68
▸ HTT P42858 1/20 0.44
▸ HSP90AA1 P07900 3/20 0.43
▸ PDE7A Q13946 5/20 0.41
▸ PDE3A Q14432 3/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ PDE7B Q9NP56 1/20 0.41
▸ HIF1A Q16665 2/20 0.39
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SCN1A P35498 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ ODC1 P11926 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL14666321 0.87 COXFA4 (0.52) COXFA4HTTHSP90AA1PDE4DHIF1A
SCHEMBL3468796 0.84 COXFA4 (0.64) COXFA4HTTHSP90AA1PDE7APDE3A
SCHEMBL14139185 0.81 COXFA4 (1.00) COXFA4HTTHSP90AA1PDE7APDE3A
SCHEMBL13071765 0.80 COXFA4 (0.68) COXFA4HSP90AA1PDE7APDE3APDE4B
SCHEMBL14098877 0.76 COXFA4 (0.89) COXFA4HTTHSP90AA1PDE7APDE3A
SCHEMBL14666280 0.75 COXFA4 (0.61) COXFA4HSP90AA1HIF1AODC1
SCHEMBL12315602 0.73 COXFA4 (0.84) COXFA4HSP90AA1HIF1A
SCHEMBL14665996 0.72 COXFA4 (0.49) COXFA4HTTPDE7APDE3A
SCHEMBL12315603 0.71 COXFA4 (0.57) COXFA4HSP90AA1HIF1A
SCHEMBL14139261 0.71 COXFA4 (0.81) COXFA4HSP90AA1HIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 COXFA4 2119/4885HTT 4145/4885HSP90AA1 1970/4885

“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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