SCHEMBL2454844

SCHEMBL2454844

CC(=O)O[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
LMNA P02545 2/20 0.48
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 2/20 0.44
THRB P10828 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
PAX8 Q06710 1/20 0.42
PRKCA P17252 1/20 0.42
AKT1 P31749 1/20 0.42
PTK2 Q05397 1/20 0.42
CA2 P00918 3/20 0.42
P4HB P07237 2/20 0.41
PDIA4 P13667 2/20 0.41
PDIA3 P30101 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA4 P22748 2/20 0.41
CA5A P35218 2/20 0.41

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
SCHEMBL2454848 1.00 TSHR (0.52) TSHRLMNAKMT2ACYP2D6THRB
SCHEMBL14278404 1.00 TSHR (0.52) TSHRLMNAKMT2ACYP2D6THRB
SCHEMBL18343982 0.93 TSHR (0.50) TSHRLMNAKMT2ACYP2D6THRB
SCHEMBL9393500 0.93 TSHR (0.50) TSHRLMNAKMT2ACYP2D6THRB
SCHEMBL23778463 0.91 TSHR (0.44) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL9798062 0.90 LMNA (0.48) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL9798051 0.90 LMNA (0.48) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL20095195 0.90 TSHR (0.59) TSHRLMNAKMT2ACYP2D6THRB
SCHEMBL21753464 0.86 TSHR (0.51) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL7025660 0.86 TSHR (0.51) TSHRLMNAKMT2AALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331550-B1 SHORT SYNTHETIC PATHWAY FOR 1,6:2,3-DIANHYDRO-BETA-D-MANNOPYRANOSE SANOFI SA (FR) 2013-11-13 EP disclosed
US-8461359-B2 Short synthetic pathway for 1,6:2,3-dianhydro-β-D-mannopyranose SANOFI (FR) 2013-06-11 US disclosed
US-20110224446-A1 SHORT SYNTHETIC PATHWAY FOR 1,6:2,3-DIANHYDRO-BETA-D-MANNOPYRANOSE SANOFI-AVENTIS (FR) 2011-09-15 US disclosed
US-6106872-A HYDROLYSIS OF GLYCOSIDES TO FORM MONOGLYCOSIDES AND ENZYME HYDROLYSIS GIST-BROCADES NV (NL) 2000-08-22 US disclosed
US-5985618-A ENZYMATICALLY HYDROLYZING CIST-BROCADES, N.V. (NL) 1999-11-16 US disclosed
EP-0416713-B2 Process for obtaining aroma components and aromas from their precursors of a glycosidic nature, and aroma components and aromas thereby obtained DSM NV (NL) 1999-06-23 EP disclosed
US-5573926-A HYDROLYSIS GIST-BROCADES, N.V. (NL) 1996-11-12 US disclosed
EP-0332281-B1 PROCESS FOR OBTAINING AROMA COMPONENTS AND AROMAS FROM THEIR PRECURSORS OF A GLYCOSIDIC NATURE GIST-BROCADES N.V. (NL) 1992-09-23 EP disclosed
US-5023330-A Starch pyrolysis, distillation, filtration, chromatography separation using ion exchange resin SUEDZUCKER-AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed
EP-0416713-A1 Process for obtaining aroma components and aromas from their precursors of a glycosidic nature, and aroma components and aromas thereby obtained GIST-BROCADES N.V. (NL) 1991-03-13 EP disclosed
EP-0332281-A1 Process for obtaining aroma components and aromas from their precursors of a glycosidic nature GIST-BROCADES N.V. (NL) 1989-09-13 EP disclosed
EP-0327920-A2 Method for the preparation of 1,6-beta-D-anhydroglucopyranose (levoglucosan) with a high purity SÜDZUCKER AKTIENGESELLSCHAFT MANNHEIM/OCHSENFURT (DE) 1989-08-16 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 (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-20110224446-A1 SHORT SYNTHETIC PATHWAY FOR 1,6:2,3-DIANHYDRO-BETA-D-MANNOPYRANOSE MANBA, ALG1, MAN2A1 TSHR 3777/4885LMNA 3265/4885KMT2A 2629/4885

“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.