SCHEMBL13557429

SCHEMBL13557429

COc1cc2c(cc1CO)OCC1Oc3c4c(cc([18F])c3C(=O)C21)OC(C)(C)C=C4

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 11/20 0.70
▸ SMN1; SMN2 Q16637 8/20 0.70
▸ MAPT P10636 8/20 0.70
▸ TDP1 Q9NUW8 5/20 0.70
▸ ALDH1A1 P00352 5/20 0.70
▸ KDM4E B2RXH2 5/20 0.70
▸ MAPK1 P28482 4/20 0.70
▸ USP2 O75604 4/20 0.70
▸ TP53 P04637 4/20 0.61
▸ CYP2C19 P33261 4/20 0.61
▸ TSHR P16473 3/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ HSP90AA1 P07900 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ ODC1 P11926 1/20 0.44
▸ LMNA P02545 4/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL14273346 0.91 CYP3A4 (0.80) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL11938491 0.91 CYP3A4 (0.80) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL19185964 0.91 CYP3A4 (0.80) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL11938549 0.91 CYP3A4 (0.80) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL13557428 0.88 CYP3A4 (0.66) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL13557430 0.88 CYP3A4 (0.66) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL13557431 0.86 CYP3A4 (0.61) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL13557397 0.86 CYP3A4 (0.82) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
Toxicarol SCHEMBL25199717 0.82 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTDP1ALDH1A1
Toxicarol SCHEMBL4742046 0.82 CYP3A4 (1.00) 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 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 3831/4885SMN1; 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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