SCHEMBL13557428

SCHEMBL13557428

COc1cc2c(cc1CO)OC[C@H]1Oc3c4c(cc([N+](=O)[O-])c3C(=O)[C@@H]21)OC(C)(C)C=C4

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 11/20 0.66
▸ SMN1; SMN2 Q16637 8/20 0.66
▸ MAPT P10636 8/20 0.66
▸ TDP1 Q9NUW8 5/20 0.66
▸ ALDH1A1 P00352 5/20 0.66
▸ KDM4E B2RXH2 5/20 0.66
▸ USP2 O75604 4/20 0.66
▸ MAPK1 P28482 4/20 0.66
▸ TP53 P04637 4/20 0.57
▸ CYP2C19 P33261 4/20 0.57
▸ TSHR P16473 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ ODC1 P11926 1/20 0.42
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 4/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL13557430 1.00 CYP3A4 (0.66) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL11938546 0.91 CYP3A4 (0.75) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL11938548 0.91 CYP3A4 (0.75) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL13557429 0.88 CYP3A4 (0.70) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL13557427 0.87 CYP3A4 (0.58) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL13557432 0.87 CYP3A4 (0.58) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL13557397 0.83 CYP3A4 (0.82) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
Toxicarol SCHEMBL25199717 0.80 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
Toxicarol SCHEMBL4742046 0.80 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL13557431 0.79 CYP3A4 (0.61) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1

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 3831/4885SMN1; SMN2 2969/4885MAPT 4043/4885
US-20160130235-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CYP3A4 3831/4885SMN1; SMN2 2969/4885MAPT 4043/4885
US-20120276006-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CYP3A4 3831/4885SMN1; SMN2 2969/4885MAPT 4043/4885

“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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