SCHEMBL13129784

SCHEMBL13129784

CC(=O)OC1[C@H](C)OC(C)[C@H](OCc2ccccc2)[C@@H]1O[C@@H]1OC(C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
LGALS8 O00214 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
RPS6KA3 P51812 1/20 0.37
RPS6KA1 Q15418 1/20 0.37
FGF1 P05230 2/20 0.36
FGF2 P09038 2/20 0.36
VEGFA P15692 2/20 0.36
HPSE Q9Y251 2/20 0.36
LMNA P02545 2/20 0.36
GJB2 P29033 1/20 0.36
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL13129990 1.00 SLC6A2 (0.41) SLC6A2LGALS8ALDH1A1CYP2D6CYP3A4
SCHEMBL15975400 1.00 SLC6A2 (0.41) SLC6A2LGALS8ALDH1A1CYP2D6CYP3A4
SCHEMBL13129886 0.91 ALDH1A1 (0.40) ALDH1A1CYP2D6CYP3A4FGF1FGF2
SCHEMBL13129884 0.91 ALDH1A1 (0.40) ALDH1A1CYP2D6CYP3A4FGF1FGF2
SCHEMBL13129845 0.91 ALDH1A1 (0.40) ALDH1A1CYP2D6CYP3A4FGF1FGF2
SCHEMBL13129844 0.91 ALDH1A1 (0.40) ALDH1A1CYP2D6CYP3A4FGF1FGF2
SCHEMBL13129843 0.90 ALDH1A1 (0.38) ALDH1A1CYP2D6FGF1FGF2VEGFA
SCHEMBL13129893 0.90 ALDH1A1 (0.38) ALDH1A1CYP2D6FGF1FGF2VEGFA
SCHEMBL13130043 0.90 ALDH1A1 (0.38) ALDH1A1CYP2D6FGF1FGF2VEGFA
SCHEMBL13130005 0.90 ALDH1A1 (0.38) ALDH1A1CYP2D6FGF1FGF2VEGFA

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-8815239-B2 Glycoconjugates and use thereof as vaccine against Shigella flexneri serotype 3a and X INSTITUT PASTEUR (FR) 2014-08-26 US disclosed
US-20100239584-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X INSTITUT PASTEUR (FR) 2010-09-23 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-20100239584-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X ST3GAL3, SI, STT3A SLC6A2 2998/4885LGALS8 130/4885ALDH1A1 3090/4885

“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.