SCHEMBL12898607

SCHEMBL12898607

CCCCOC1C(OCCCC)[C@H](OCCCC)C(CO)O[C@@H]1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.46
▸ MAPK1 P28482 1/20 0.39
▸ GJB2 P29033 1/20 0.39
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ GBA1 P04062 1/20 0.36
▸ LGALS8 O00214 5/20 0.35
▸ LGALS3 P17931 1/20 0.35
▸ LGALS4 P56470 1/20 0.35
▸ SLC2A1 P11166 1/20 0.33

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
SCHEMBL15003220 1.00 TNF (0.46) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL12669339 1.00 TNF (0.46) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL15003149 1.00 TNF (0.46) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL9008143 1.00 TNF (0.46) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL15304386 1.00 TNF (0.46) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL14418209 1.00 TNF (0.46) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL463607 1.00 TNF (0.46) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL16254154 0.98 TNF (0.47) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL27099540 0.98 TNF (0.47) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL10648977 0.95 TNF (0.51) TNFMAPK1GJB2SSTR1SSTR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170051003-A1 REAGENT-CONTROLLED STEREOSELECTIVE GLYCOSYLATION NATIONAL SCIENCE FOUNDATION 2017-02-23 — — US disclosed
US-9403862-B2 Reagent controlled stereoselective glycosylation TRUSTEES OF TUFTS COLLEGE (US) 2016-08-02 — — US disclosed
US-9359394-B2 Stereoselective glycosylation reactions TRUSTEES OF TUFTS COLLEGE (US) 2016-06-07 — — US disclosed
US-20150038689-A1 Reagent-Controlled Stereoselective Glycosylation NATIONAL SCIENCE FOUNDATION 2015-02-05 — — US disclosed
US-20140303359-A1 Stereoselective Glycosylation Reactions TRUSTEES OF TUFTS COLLEGE (US) 2014-10-09 — — US disclosed
EP-2414372-B1 CHEMICAL SYNTHESIS OF PHOSPHATIDYLINOSITOL MANNOSIDE GLYCANS FROM MYCOBACTERIUM TUBERCULOSIS MAX PLANCK GESELLSCHAFT (DE) 2013-10-23 — — EP disclosed
US-20110046003-A1 ALPHA-SELECTIVE SIALYL PHOSPHATE DONORS FOR PREPARATION OF SIALOSIDES AND SIALOSIDE ARRAYS FOR INFLUENZA VIRUS DETECTION ACADEMIA SINICA (TW) 2011-02-24 — — US disclosed
US-20100324275-A1 3, 6-O-BRIDGED PYRANOSE INVERSION COMPOUND AND PROCESS FOR PRODUCING B-O-PYRANOSIDE KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2010-12-23 — — US disclosed
WO-2009102022-A1 3,6-O-BRIDGED PYRANOSE INVERSION COMPOUND AND PROCESS FOR PRODUCING Β-O-PYRANOSIDE KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2009-08-20 — — 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 (5 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-20100324275-A1 3, 6-O-BRIDGED PYRANOSE INVERSION COMPOUND AND PROCESS FOR PRODUCING B-O-PYRANOSIDE CBR3, OXER1, CBR1 TNF 732/4885MAPK1 2661/4885GJB2 528/4885
US-20140303359-A1 Stereoselective Glycosylation Reactions UGGT1, ST6GAL1, FUT6 TNF 4193/4885MAPK1 2285/4885GJB2 3056/4885
US-20150038689-A1 Reagent-Controlled Stereoselective Glycosylation ST6GAL1, UGGT1, GALE TNF 2604/4885MAPK1 3284/4885GJB2 3502/4885
US-20170051003-A1 REAGENT-CONTROLLED STEREOSELECTIVE GLYCOSYLATION ST6GAL1, UGGT1, GALE TNF 2604/4885MAPK1 3284/4885GJB2 3502/4885
US-20110046003-A1 ALPHA-SELECTIVE SIALYL PHOSPHATE DONORS FOR PREPARATION OF SIALOSIDES AND SIALOSIDE ARRAYS FOR INFLUENZA VIRUS DETECTION NEU4, ST6GAL1, NEU3 TNF 4795/4885MAPK1 2893/4885GJB2 1185/4885

“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.

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