SCHEMBL14666129

SCHEMBL14666129

COc1cc(CC(=O)c2ccc3c(c2)C=CC(C)(C[18F])O3)cc(OC)c1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 1/20 0.48
▸ HSP90AA1 P07900 4/20 0.43
▸ HIF1A Q16665 11/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ EPAS1 Q99814 3/20 0.36

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
SCHEMBL12315606 0.90 COXFA4 (0.52) COXFA4HSP90AA1HIF1ALMNAHTT
SCHEMBL14098880 0.87 COXFA4 (0.61) COXFA4HSP90AA1HIF1AEPAS1
SCHEMBL14666009 0.80 COXFA4 (0.56) COXFA4HSP90AA1HIF1AEPAS1
SCHEMBL13071766 0.79 PTGS1 (0.40) COXFA4HIF1APTGS1PTGS2XDH
SCHEMBL12315468 0.79 PTGS1 (0.40) COXFA4HIF1APTGS1PTGS2XDH
SCHEMBL12315552 0.79 COXFA4 (0.74) COXFA4HSP90AA1HIF1A
SCHEMBL14666102 0.77 HIF1A (0.39) COXFA4HIF1APTGS1PTGS2XDH
SCHEMBL16865491 0.77 COXFA4 (0.59) COXFA4HSP90AA1HIF1AEPAS1
SCHEMBL16694415 0.77 HIF1A (0.66) COXFA4HSP90AA1HIF1ALMNAHTT
SCHEMBL14098884 0.74 COXFA4 (0.56) COXFA4HSP90AA1HIF1AEPAS1

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 1 patent. 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

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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