SCHEMBL13058726

SCHEMBL13058726

OC1C(OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C(O[C@H]2OC(COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 2/20 0.54
PTPN1 P18031 11/20 0.53
PTPN2 P17706 5/20 0.53
PTPN11 Q06124 5/20 0.53
NT5E P21589 1/20 0.53
SSTR1 P30872 1/20 0.52
SSTR2 P30874 1/20 0.52
SSTR4 P31391 1/20 0.52
SSTR3 P32745 1/20 0.52
SSTR5 P35346 1/20 0.52
CDC25B P30305 8/20 0.50
PTPN6 P29350 4/20 0.50

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
SCHEMBL3766123 1.00 GJB2 (0.54) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL3752571 0.97 GJB2 (0.57) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL13058755 0.97 GJB2 (0.57) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL13058729 0.97 GJB2 (0.57) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL13058741 0.96 GJB2 (0.58) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL13058745 0.96 GJB2 (0.58) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL3758159 0.96 GJB2 (0.58) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL13058715 0.96 GJB2 (0.58) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL3760613 0.96 GJB2 (0.58) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL13058703 0.96 GJB2 (0.58) GJB2PTPN1PTPN2PTPN11NT5E

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-20100297156-A1 ANALOGUES OF PHOSPHATIDYLINOSITOL MANNOSIDES INDUSTRIAL RESEARCH LIMITED (NZ) 2010-11-25 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-20100297156-A1 ANALOGUES OF PHOSPHATIDYLINOSITOL MANNOSIDES PIK3CA, PIK3CB, PIK3CG GJB2 4599/4885PTPN1 1411/4885PTPN2 910/4885

“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.