SCHEMBL9992609

SCHEMBL9992609

O=C(C=Cc1ccc(O)cc1)C(O)[C@H]1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.69
CA12 O43570 3/20 0.69
CA4 P22748 3/20 0.69
CA7 P43166 3/20 0.69
TYR P14679 1/20 0.69
NQO2 P16083 1/20 0.63
CBS P35520 1/20 0.62
P4HB P07237 3/20 0.61
CA2 P00918 2/20 0.61
AKR1B1 P15121 2/20 0.61
ACHE P22303 1/20 0.61
RPS6KA3 P51812 4/20 0.61
POLB P06746 2/20 0.57
GAA P10253 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
ALPI P09923 1/20 0.57
MAPT P10636 1/20 0.57
CYP2D6 P10635 1/20 0.55

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
SCHEMBL1287866 1.00 CYP3A4 (0.69) CYP3A4CA12CA4CA7TYR
SCHEMBL1278982 1.00 CYP3A4 (0.69) CYP3A4CA12CA4CA7TYR
SCHEMBL18670353 1.00 CYP3A4 (0.69) CYP3A4CA12CA4CA7TYR
SCHEMBL181120 0.95 KDM4E (0.65) CYP3A4CA12CA4CA7TYR
SCHEMBL1279100 0.92 CYP3A4 (0.59) CYP3A4CA12CA4CA7TYR
SCHEMBL2510457 0.87 NQO2 (0.72) CYP3A4CA12CA4CA7NQO2
SCHEMBL2002343 0.85 CA12 (0.65) CYP3A4CA12CA4CA7TYR
SCHEMBL572192 0.85 CYP3A4 (0.60) CYP3A4CA12CA4CA7TYR
SCHEMBL2007120 0.84 NQO2 (0.65) CYP3A4CA12CA4CA7NQO2
Tiliroside SCHEMBL23597 0.82 CA12 (1.00) CYP3A4CA12CA4CA7TYR

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-20140234271-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2014-08-21 US disclosed
US-8748177-B2 Compositions for proliferation of cells and related methods THE HOSPITAL FOR SICK CHILDREN (CA) 2014-06-10 US disclosed
US-20110301105-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2011-12-08 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-20140234271-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS MKI67, KRT18, PROX1 CYP3A4 4005/4885CA12 1642/4885CA4 816/4885
US-20110301105-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS MKI67, KRT18, PROX1 CYP3A4 4005/4885CA12 1642/4885CA4 816/4885

“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.