SCHEMBL13557397

SCHEMBL13557397

COc1cc2c(cc1CO)OC[C@H]1Oc3c(ccc4c3C=CC(C)(C)O4)C(=O)[C@@H]21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 11/20 0.82
▸ MAPT P10636 8/20 0.82
▸ SMN1; SMN2 Q16637 8/20 0.82
▸ TP53 P04637 4/20 0.82
▸ CYP2C19 P33261 4/20 0.82
▸ TSHR P16473 3/20 0.82
▸ CYP1A2 P05177 2/20 0.82
▸ HSP90AA1 P07900 2/20 0.82
▸ CYP2D6 P10635 1/20 0.82
▸ TDP1 Q9NUW8 5/20 0.63
▸ ALDH1A1 P00352 5/20 0.63
▸ KDM4E B2RXH2 5/20 0.63
▸ MAPK1 P28482 4/20 0.63
▸ USP2 O75604 4/20 0.63
▸ ODC1 P11926 1/20 0.59
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ LMNA P02545 4/20 0.52
▸ GALR3 O60755 2/20 0.52
▸ HPGD P15428 2/20 0.52

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
SCHEMBL13557385 0.92 CYP3A4 (0.70) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
SCHEMBL14134345 0.91 CYP3A4 (0.72) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
Deguelin SCHEMBL19365775 0.90 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
Deguelin SCHEMBL29405854 0.90 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
Deguelin SCHEMBL73183 0.90 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
Deguelin SCHEMBL3365130 0.90 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
Deguelin SCHEMBL30910172 0.90 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
SCHEMBL13557392 0.90 CYP3A4 (0.67) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
SCHEMBL13557402 0.90 CYP3A4 (0.68) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
SCHEMBL13557401 0.89 CYP3A4 (0.69) CYP3A4MAPTSMN1; SMN2TP53CYP2C19

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-20180009763-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2018-01-11 — — US disclosed
US-9718786-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2017-08-01 — — US disclosed
US-20160130235-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2016-05-12 — — US disclosed
US-9161997-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. 2015-10-20 — — US disclosed
US-20120276006-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2012-11-01 — — 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 (3 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-20180009763-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CYP3A4 3831/4885MAPT 4043/4885SMN1; SMN2 2969/4885
US-20160130235-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CYP3A4 3831/4885MAPT 4043/4885SMN1; SMN2 2969/4885
US-20120276006-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CYP3A4 3831/4885MAPT 4043/4885SMN1; SMN2 2969/4885

“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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