SCHEMBL13557401

SCHEMBL13557401

CC1(C)C=Cc2c(ccc3c2O[C@@H]2COc4cc(CO)c(O)cc4[C@@H]2C3=O)O1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.69
▸ MAPT P10636 6/20 0.69
▸ SMN1; SMN2 Q16637 5/20 0.69
▸ HSP90AA1 P07900 3/20 0.69
▸ TP53 P04637 2/20 0.69
▸ CYP2C19 P33261 2/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ TDP1 Q9NUW8 3/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ USP2 O75604 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ ODC1 P11926 1/20 0.48
▸ PTPN1 P18031 4/20 0.47
▸ MGAM O43451 1/20 0.46
▸ BCHE P06276 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43

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
SCHEMBL14134345 0.94 CYP3A4 (0.72) CYP3A4MAPTSMN1; SMN2HSP90AA1TP53
SCHEMBL16694201 0.91 CYP3A4 (0.76) CYP3A4MAPTSMN1; SMN2HSP90AA1TP53
SCHEMBL13557397 0.89 CYP3A4 (0.82) CYP3A4MAPTSMN1; SMN2HSP90AA1TP53
SCHEMBL16865473 0.88 CYP3A4 (0.72) CYP3A4MAPTSMN1; SMN2HSP90AA1TP53
SCHEMBL11946418 0.86 CYP3A4 (0.86) CYP3A4MAPTSMN1; SMN2HSP90AA1TP53
SCHEMBL11938527 0.86 CYP3A4 (0.86) CYP3A4MAPTSMN1; SMN2HSP90AA1TP53
SCHEMBL13557402 0.85 CYP3A4 (0.68) CYP3A4MAPTSMN1; SMN2HSP90AA1TP53
SCHEMBL4742959 0.85 CYP3A4 (0.76) CYP3A4MAPTSMN1; SMN2HSP90AA1TP53
SCHEMBL14134482 0.84 CYP3A4 (0.77) CYP3A4MAPTSMN1; SMN2HSP90AA1TP53
SCHEMBL19365481 0.84 CYP3A4 (0.86) CYP3A4MAPTSMN1; SMN2HSP90AA1TP53

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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