SCHEMBL571102

SCHEMBL571102

O=C(O)[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@H](O)[C@@H](O)[C@@H]1OS(=O)(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 15/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
IL2 P60568 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A2 O94788 1/20 0.63
ALDH1B1 P30837 1/20 0.63
MAOA P21397 11/20 0.50
MAOB P27338 11/20 0.50
XDH P47989 1/20 0.50
TNF P01375 1/20 0.50
LMNA P02545 3/20 0.49
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.46
CA12 O43570 1/20 0.46
AKR1B10 O60218 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TTR P02766 1/20 0.46
ESR1 P03372 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL17938780 0.88 ALDH2 (0.74) ALDH2NPC1RAB9AIL2SMN1; SMN2
SCHEMBL13279869 0.88 ALDH2 (0.74) ALDH2NPC1RAB9AIL2SMN1; SMN2
SCHEMBL17938836 0.82 NPC1 (0.66) ALDH2NPC1RAB9AIL2SMN1; SMN2
Daidzin SCHEMBL3423674 0.77 NPC1 (1.00) ALDH2NPC1RAB9AIL2SMN1; SMN2
Daidzin SCHEMBL61396 0.77 NPC1 (1.00) ALDH2NPC1RAB9AIL2SMN1; SMN2
Daidzin SCHEMBL14477668 0.77 NPC1 (1.00) ALDH2NPC1RAB9AIL2SMN1; SMN2
Daidzin SCHEMBL13481417 0.77 NPC1 (1.00) ALDH2NPC1RAB9AIL2SMN1; SMN2
Daidzin SCHEMBL61397 0.77 NPC1 (1.00) ALDH2NPC1RAB9AIL2SMN1; SMN2
Daidzin SCHEMBL315373 0.77 NPC1 (1.00) ALDH2NPC1RAB9AIL2SMN1; SMN2
Daidzin SCHEMBL30600131 0.77 NPC1 (1.00) ALDH2NPC1RAB9AIL2SMN1; 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 6 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
EP-2598150-A2 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS The Hospital For Sick Children (CA) 2013-06-05 EP disclosed
WO-2012018643-A2 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2012-02-09 WO disclosed
US-20110301105-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2011-12-08 US disclosed
WO-2010039679-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2010-04-08 WO 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 ALDH2 1826/4885NPC1 3331/4885RAB9A 4483/4885
US-20110301105-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS MKI67, KRT18, PROX1 ALDH2 1826/4885NPC1 3331/4885RAB9A 4483/4885

“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.