SCHEMBL14666188

SCHEMBL14666188

COc1cc(CC(=O)c2cc3c(cc2[18F])OC(C)(C)C=C3)cc(OC)c1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.54
▸ HIF1A Q16665 14/20 0.51
▸ COXFA4 O00483 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL12315603 0.85 COXFA4 (0.57) HSP90AA1HIF1ACOXFA4ALDH1A1CYP3A4
SCHEMBL14098880 0.81 COXFA4 (0.61) HSP90AA1HIF1ACOXFA4
SCHEMBL12315474 0.77 HIF1A (0.47) HSP90AA1HIF1AALDH1A1CYP3A4HPGD
SCHEMBL13071765 0.77 COXFA4 (0.68) HSP90AA1HIF1ACOXFA4ALDH1A1CYP3A4
SCHEMBL14666280 0.76 COXFA4 (0.61) HSP90AA1HIF1ACOXFA4ALDH1A1CYP3A4
SCHEMBL14666009 0.73 COXFA4 (0.56) HSP90AA1HIF1ACOXFA4
SCHEMBL12315552 0.72 COXFA4 (0.74) HSP90AA1HIF1ACOXFA4
SCHEMBL14098884 0.72 COXFA4 (0.56) HSP90AA1HIF1ACOXFA4
Encecalin SCHEMBL4310132 0.71 ALDH1A1 (0.68) HSP90AA1HIF1ACOXFA4ALDH1A1CYP3A4
SCHEMBL14666129 0.71 COXFA4 (0.48) HSP90AA1HIF1ACOXFA4

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 HSP90AA1 1970/4885HIF1A 887/4885COXFA4 2119/4885

“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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