SCHEMBL6809787

SCHEMBL6809787

O[C@H]1[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 2/20 0.58
▸ NT5E P21589 1/20 0.51
▸ PTPN1 P18031 8/20 0.51
▸ CDC25B P30305 8/20 0.51
▸ PTPN2 P17706 4/20 0.51
▸ PTPN6 P29350 4/20 0.51
▸ PTPN11 Q06124 4/20 0.51
▸ GJA1 P17302 1/20 0.49
▸ TACR2 P21452 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ SLC6A2 P23975 1/20 0.47

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
SCHEMBL9853868 1.00 GJB2 (0.58) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL9853872 1.00 GJB2 (0.58) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL14414817 0.93 GJB2 (0.56) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL5466098 0.93 GJB2 (0.56) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL24479039 0.92 SLC6A2 (0.53) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL10865849 0.92 SLC6A2 (0.53) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL18671703 0.91 SSTR1 (0.58) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL10609599 0.91 SSTR1 (0.58) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL22858228 0.91 SSTR1 (0.58) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL22659920 0.91 SSTR1 (0.58) GJB2NT5EPTPN1CDC25BPTPN2

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-20040058888-A1 Methods for synthesis of alpha-d-gal (1~>3) gal-containing oligosaccharides ALCHEMIA PTY LTD. (AU) 2004-03-25 — — US disclosed
EP-1257558-A1 METHODS FOR SYNTHESIS OF ALPHA-D-GAL (1- 3) GAL-CONTAINING OLIGOSACCHARIDES Alchemia Pty Ltd (AU) 2002-11-20 — — EP disclosed
WO-2001051499-A1 METHODS FOR SYNTHESIS OF α-D-GAL (1→3) GAL-CONTAINING OLIGOSACCHARIDES ALCHEMIA PTY LTD (AU) 2001-07-19 — — 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 (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-20040058888-A1 Methods for synthesis of alpha-d-gal (1~>3) gal-containing oligosaccharides B4GALT1, B3GAT3, FUT5 GJB2 4343/4885NT5E 3592/4885PTPN1 3406/4885

“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.

Send feedback