SCHEMBL16865489

SCHEMBL16865489

COc1cc([C@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2=O)ccc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 0.71
CYP3A4 P08684 4/20 0.55
MAPT P10636 3/20 0.55
TP53 P04637 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HSP90AA1 P07900 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
ACHE P22303 1/20 0.49
BCHE P06276 3/20 0.44
USP2 O75604 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPN1 P18031 4/20 0.42
PDE4D Q08499 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL16694477 0.92 ODC1 (0.77) ODC1CYP3A4MAPTTP53SMN1; SMN2
Lonchocarpusone SCHEMBL14139263 0.83 ODC1 (1.00) ODC1CYP3A4MAPTTP53SMN1; SMN2
SCHEMBL16865458 0.75 CYP3A4 (0.88) ODC1CYP3A4MAPTTP53SMN1; SMN2
SCHEMBL12315590 0.75 CYP3A4 (0.88) ODC1CYP3A4MAPTTP53SMN1; SMN2
SCHEMBL12055338 0.74 KCNH2 (0.43) ODC1CYP3A4MAPTSMN1; SMN2ACHE
SCHEMBL30637575 0.73 ODC1 (0.66) ODC1CYP3A4MAPTTP53SMN1; SMN2
SCHEMBL30530493 0.73 ODC1 (0.60) ODC1CYP3A4MAPTTP53SMN1; SMN2
Deguelin SCHEMBL73183 0.71 CYP3A4 (1.00) ODC1CYP3A4MAPTTP53SMN1; SMN2
Deguelin SCHEMBL29405854 0.71 CYP3A4 (1.00) ODC1CYP3A4MAPTTP53SMN1; SMN2
Deguelin SCHEMBL3365130 0.71 CYP3A4 (1.00) ODC1CYP3A4MAPTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
US-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2015-07-02 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-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HIF1AN ODC1 3423/4885CYP3A4 4301/4885MAPT 1940/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P ODC1 3782/4885CYP3A4 4358/4885MAPT 1864/4885

“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.