SCHEMBL16429136

SCHEMBL16429136

O=CC[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.39
SLC1A1 P43005 3/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TACR1 P25103 3/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL9837867 1.00 CA1 (0.43) CA1CA2CA7CA9KMT2A
SCHEMBL1578411 0.89 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL1578413 0.89 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL8997866 0.86 CA1 (0.43) CA1CA2CA7CA9KMT2A
SCHEMBL8997763 0.86 CA1 (0.43) CA1CA2CA7CA9KMT2A
SCHEMBL1579239 0.86 SLC1A3 (0.40) CA1CA2CA7CA9KMT2A
SCHEMBL1579241 0.86 SLC1A3 (0.40) CA1CA2CA7CA9KMT2A
SCHEMBL19390430 0.83 CA1 (0.47) CA1CA2CA7CA9KMT2A
SCHEMBL14372163 0.83 CA1 (0.47) CA1CA2CA7CA9KMT2A
SCHEMBL9838648 0.83 CA1 (0.47) CA1CA2CA7CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868755-B2 Reagent-controlled stereoselective glycosylation TRUSTEES OF TUFTS COLLEGE (US) 2018-01-16 US disclosed
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-20150038689-A1 Reagent-Controlled Stereoselective Glycosylation NATIONAL SCIENCE FOUNDATION 2015-02-05 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-20150038689-A1 Reagent-Controlled Stereoselective Glycosylation ST6GAL1, UGGT1, GALE CA1 838/4885CA2 4089/4885CA7 878/4885
US-20170051003-A1 REAGENT-CONTROLLED STEREOSELECTIVE GLYCOSYLATION ST6GAL1, UGGT1, GALE CA1 838/4885CA2 4089/4885CA7 878/4885

“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.