SCHEMBL16727974

SCHEMBL16727974

C=C1O[C@@H](c2ccoc2)[C@]2(C)CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4CC(OC(C)=O)[C@@]3(C)[C@]23O[C@H]13

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 13/20 0.85
▸ SMN1; SMN2 Q16637 9/20 0.85
▸ MAPT P10636 4/20 0.85
▸ LMNA P02545 3/20 0.85
▸ TP53 P04637 3/20 0.85
▸ NPSR1 Q6W5P4 1/20 0.85
▸ MIF P14174 1/20 0.76
▸ USP2 O75604 10/20 0.65
▸ TDP1 Q9NUW8 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ MAPK1 P28482 1/20 0.61
▸ SLCO1B3 Q9NPD5 3/20 0.60
▸ SLCO1B1 Q9Y6L6 3/20 0.60
▸ APEX1 P27695 1/20 0.60
▸ GLA P06280 1/20 0.54

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
SCHEMBL17612264 1.00 CYP3A4 (0.85) CYP3A4SMN1; SMN2MAPTLMNATP53
SCHEMBL15604116 1.00 CYP3A4 (0.85) CYP3A4SMN1; SMN2MAPTLMNATP53
Gedunin SCHEMBL598969 0.92 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTLMNATP53
Gedunin SCHEMBL12664640 0.92 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTLMNATP53
Gedunin SCHEMBL16731398 0.92 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTLMNATP53
Gedunin SCHEMBL23134885 0.92 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTLMNATP53
Gedunin SCHEMBL14197009 0.92 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTLMNATP53
Gedunin SCHEMBL10019479 0.92 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTLMNATP53
Gedunin SCHEMBL12998444 0.92 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTLMNATP53
Gedunin SCHEMBL17603575 0.92 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTLMNATP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150139905-A1 TARGETED THERAPEUTICS MADRIGAL PHARMACEUTICALS, INC. 2015-05-21 — — 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 (1 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-20150139905-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 CYP3A4 4247/4885SMN1; SMN2 3508/4885MAPT 811/4885

“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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