SCHEMBL13557392

SCHEMBL13557392

COc1cc2c(cc1CO)OC[C@H]1Oc3c(ccc4c3C=CC(C)(C[18F])O4)C(=O)[C@@H]21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 11/20 0.67
▸ MAPT P10636 8/20 0.67
▸ SMN1; SMN2 Q16637 8/20 0.67
▸ TP53 P04637 4/20 0.67
▸ CYP2C19 P33261 4/20 0.67
▸ TSHR P16473 3/20 0.67
▸ CYP1A2 P05177 2/20 0.67
▸ HSP90AA1 P07900 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ TDP1 Q9NUW8 5/20 0.51
▸ MAPK1 P28482 4/20 0.51
▸ USP2 O75604 4/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ LMNA P02545 4/20 0.49
▸ GALR3 O60755 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ NPC1 O15118 2/20 0.49

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 0.94 CYP3A4 (0.70) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
SCHEMBL11938522 0.92 CYP3A4 (0.79) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
SCHEMBL19185692 0.92 CYP3A4 (0.79) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
SCHEMBL13557397 0.90 CYP3A4 (0.82) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
SCHEMBL13557394 0.89 CYP3A4 (0.62) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
SCHEMBL11945504 0.88 CYP3A4 (0.80) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
SCHEMBL11938519 0.88 CYP3A4 (0.80) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
SCHEMBL13557390 0.85 CYP3A4 (0.58) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
SCHEMBL13557354 0.84 CYP3A4 (0.80) CYP3A4MAPTSMN1; SMN2TP53CYP2C19
SCHEMBL13557407 0.84 CYP3A4 (0.61) 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 2 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-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 (2 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-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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