SCHEMBL971021

SCHEMBL971021

COc1ccc(COC[C@H]2OC(O)[C@H](N)[C@@H](OCc3ccc(OC)cc3)[C@@H]2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 7/20 0.55
GJA1 P17302 5/20 0.55
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TACR2 P21452 1/20 0.36

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
SCHEMBL971023 1.00 GJB2 (0.55) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL12920323 1.00 GJB2 (0.55) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL5027888 0.90 GJB2 (0.51) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL5027889 0.90 GJB2 (0.51) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL26443901 0.89 GJB2 (0.50) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL15481943 0.84 GJB2 (0.48) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL16757112 0.84 GJB2 (0.48) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL12347680 0.82 GJB2 (0.45) GJB2GJA1IDO1AGXTCA1
SCHEMBL26443920 0.81 GJB2 (0.46) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL14747303 0.81 GJB2 (0.47) GJB2GJA1SSTR1SSTR2SSTR4

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-20110201794-A1 Disaccharides for drug discovery ALCHEMIA LIMITED (AU) 2011-08-18 US disclosed
US-7875707-B2 combinatorial libraries; lipid solubility; solid phase synthesis ALCHEMIA LIMITED (AU) 2011-01-25 US disclosed
US-20060121530-A1 Disaccharides for drug discovery VAST BIOSCIENCE PTY LIMITED (AU) 2006-06-08 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-20110201794-A1 Disaccharides for drug discovery UGCG, STT3A, DDOST GJB2 4842/4885GJA1 4804/4885SSTR1 968/4885
US-20060121530-A1 Disaccharides for drug discovery UGCG, STT3A, DDOST GJB2 4842/4885GJA1 4804/4885SSTR1 968/4885

“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.