SCHEMBL3489622

SCHEMBL3489622

OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.42
SLC6A2 P23975 1/20 0.41
PDPK1 O15530 1/20 0.41
MTOR P42345 1/20 0.41
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
PDE4D Q08499 1/20 0.39
LGALS9 O00182 2/20 0.37
LGALS1 P09382 2/20 0.37
LGALS3 P17931 2/20 0.37
LGALS8 O00214 1/20 0.37
LGALS2 P05162 1/20 0.37
LGALS4 P56470 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
SCHEMBL15422703 1.00 TACR2 (0.42) TACR2SLC6A2PDPK1MTORTSHR
SCHEMBL8335055 1.00 TACR2 (0.42) TACR2SLC6A2PDPK1MTORTSHR
SCHEMBL13498636 1.00 TACR2 (0.42) TACR2SLC6A2PDPK1MTORTSHR
SCHEMBL15652660 1.00 TACR2 (0.42) TACR2SLC6A2PDPK1MTORTSHR
SCHEMBL5688674 1.00 TACR2 (0.42) TACR2SLC6A2PDPK1MTORTSHR
SCHEMBL20169071 1.00 TACR2 (0.42) TACR2SLC6A2PDPK1MTORTSHR
SCHEMBL5689526 1.00 TACR2 (0.42) TACR2SLC6A2PDPK1MTORTSHR
SCHEMBL19818851 0.91 LGALS3 (0.43) TACR2SLC6A2PDPK1MTORTSHR
SCHEMBL13498631 0.91 SSTR1 (0.45) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL5326841 0.90 LGALS3 (0.44) TACR2SLC6A2TSHRCYP2C19CA12

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-20060166278-A1 Method for synthesizing sugar chain(s) MITSUBISHI CHEMICAL CORPORATION (JP) 2006-07-27 US claimed
EP-1640379-A1 METHOD OF SYNTHESIZING SUGAR CHAIN Mitsubishi Chemical Corporation (JP) 2006-03-29 EP claimed
US-20190055276-A1 IONIC LIQUID SUPPORTED SYNTHESIS MCGILL UNIVERSITY 2019-02-21 US disclosed
US-10059736-B2 Ionic liquid supported synthesis MCGILL UNIVERSITY (CA) 2018-08-28 US disclosed
US-20100041869-A1 IONIC LIQUID SUPPORTED SYNTHESIS MCGILL UNIVERSITY (CA) 2010-02-18 US disclosed
EP-1861413-A1 IONIC LIQUID SUPPORTED SYNTHESIS McGILL UNIVERSITY (CA) 2007-12-05 EP disclosed
WO-2006096963-A1 IONIC LIQUID SUPPORTED SYNTHESIS MCGILL UNIVERSITY (CA) 2006-09-21 WO disclosed
US-20060166278-A1 Method for synthesizing sugar chain(s) MITSUBISHI CHEMICAL CORPORATION (JP) 2006-07-27 US disclosed
EP-1640379-A1 METHOD OF SYNTHESIZING SUGAR CHAIN Mitsubishi Chemical Corporation (JP) 2006-03-29 EP 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 (3 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-20190055276-A1 IONIC LIQUID SUPPORTED SYNTHESIS IGF2BP1, IGF2BP2, IGF2BP3 TACR2 4393/4885SLC6A2 2824/4885PDPK1 2391/4885
US-20100041869-A1 IONIC LIQUID SUPPORTED SYNTHESIS IGF2BP1, IGF2BP2, IGF2BP3 TACR2 4393/4885SLC6A2 2824/4885PDPK1 2391/4885
US-10059736-B2 Ionic liquid supported synthesis IGF2BP1, IGF2BP2, IGF2BP3 TACR2 4393/4885SLC6A2 2824/4885PDPK1 2391/4885

“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.