SCHEMBL987627

SCHEMBL987627

OC[C@H]1OCO[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 3/20 0.42
LGALS1 P09382 2/20 0.41
LGALS9 O00182 1/20 0.41
LGALS8 O00214 1/20 0.41
LMNA P02545 2/20 0.39
GBA1 P04062 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TREH O43280 1/20 0.35
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
PYGB P11216 1/20 0.32

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
SCHEMBL11446120 1.00 LGALS3 (0.42) LGALS3LGALS1LGALS9LGALS8LMNA
SCHEMBL6672320 0.86 LGALS3 (0.36) LGALS3LGALS1LGALS9LGALS8LMNA
SCHEMBL7208163 0.84
SCHEMBL1864487 0.84
SCHEMBL7207613 0.84
SCHEMBL28138886 0.80
1,5-Anhydrosorbitol SCHEMBL23026253 0.78 LGALS3 (0.48) LGALS3LGALS1LGALS9LGALS8LMNA
1,5-Anhydrosorbitol SCHEMBL21082117 0.78 LGALS3 (0.48) LGALS3LGALS1LGALS9LGALS8LMNA
1,5-Anhydrosorbitol SCHEMBL2280560 0.78 LGALS3 (0.48) LGALS3LGALS1LGALS9LGALS8LMNA
1,5-Anhydrosorbitol SCHEMBL20714515 0.78 LGALS3 (0.48) LGALS3LGALS1LGALS9LGALS8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5709737-A AQUEOUS LIQUID VEHICLE, COLORANT, ALCOHOL ADDITIVE; SUITABLE FOR MICROWAVE DRYING PROCESSES XEROX CORPORATION (US) 1998-01-20 US claimed
US-20110268822-A1 METHODS FOR SYNTHESIZING KOTALANOL AND STEREOISOMERS AND ANALOGUES THEREOF, AND NOVEL COMPOUNDS PRODUCED THEREBY SIMON FRASER UNIVERSITY (CA) 2011-11-03 US disclosed
EP-2274293-A1 METHODS FOR SYNTHESIZING KOTALANOL AND STEREOISOMERS AND ANALOGUES THEREOF, AND NOVEL COMPOUNDS PRODUCED THEREBY SIMON FRASER UNIVERSITY (CA) 2011-01-19 EP disclosed
WO-2009117829-A1 METHODS FOR SYNTHESIZING KOTALANOL AND STEREOISOMERS AND ANALOGUES THEREOF, AND NOVEL COMPOUNDS PRODUCED THEREBY SIMON FRASER UNIVERSITY (CA) 2009-10-01 WO disclosed
US-20040138057-A1 Catalyst composition and methods for its preparation and use in a polymerization process WENZEL TIMOTHY T (US) 2004-07-15 US disclosed
US-6566538-B1 Preparation of 5-(aryloxymethyl)-g-butyrolactone derivatives MILLENNIUM PHARMACEUTICALS, INC. 2003-05-20 US disclosed
EP-1094805-A4 SUBSTITUTED OXYGEN ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF MILLENNIUM PHARM INC (US) 2002-08-28 EP disclosed
US-6433197-B1 REACTING ARYLHYDROXY COMPOUND AND AN EPOXY COMPOUND TO FORM AN EPOXY-ARYL ETHER; REACTING EPOXY-ARYL ETHER WITH ACTIVE METHYLENE COMPOUND TO FORM A LACTONE; REDUCING TO PROVIDE HYDROXY-SUBSTITUTED TETRAHYDROFURAN MILLENNIUM PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-20020040154-A1 Substituted oxygen alicyclic compounds, including methods for synthesis thereof MILLENNIUM PHARMACEUTICALS, INC. 2002-04-04 US disclosed
US-20020035278-A1 Methods for synthesis of substituted tetrahydrofuran compound MILLENNIUM PHARMACEUTICALS, INC. 2002-03-21 US disclosed
US-6310221-B1 PREPARING A 4-FLUOROPHENOXYMETHYL-(HYDROXY)-TETRAHYDROFURAN BY REACTING 4-FLUOROPHENOL AND AN EPOXY COMPOUND; REACTING THE EPOXY-PHENYL ETHER WITH AN ACTIVE METHYLENE COMPOUND TO FORM A LACTONE; AND REDUCING THE LACTONE MILLENNIUM PHARMACEUTICALS, INC. 2001-10-30 US disclosed
US-6306895-B1 PREPARATION OF CYCLIC OXYGEN COMPOUNDS, INCLUDING 2,5-DISUBSTITUTED TETAHYDROFURANS, 2,6-DISUBSTITUTED TETRAHYDROPYRANS, 2,7-DISUBSTITUTED OXEPANES AND 2,8-OXOCANES. THE INVENTION ALSO PROVIDES NEW CYCLIC OXYGEN COMPOUNDS AND MILLENIUM PHARMACEUTICALS, INC. 2001-10-23 US disclosed
EP-1102759-A1 METHODS FOR SYNTHESIS OF SUBSTITUTED TETRAHYDROFURAN COMPOUND Millennium Pharmaceuticals, Inc. (US) 2001-05-30 EP disclosed
EP-1094805-A1 SUBSTITUTED OXYGEN ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF Millennium Pharmaceuticals, Inc. (US) 2001-05-02 EP disclosed
WO-2000001381-A1 SUBSTITUTED OXYGEN ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF LEUKOSITE, INC. (US) 2000-01-13 WO disclosed
WO-2000001683-A1 METHODS FOR SYNTHESIS OF SUBSTITUTED TETRAHYDROFURAN COMPOUND LEUKOSITE, INC. (US) 2000-01-13 WO disclosed
US-5709737-A AQUEOUS LIQUID VEHICLE, COLORANT, ALCOHOL ADDITIVE; SUITABLE FOR MICROWAVE DRYING PROCESSES XEROX CORPORATION (US) 1998-01-20 US disclosed
US-4801710-A Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives MERCK & CO., INC. (US) 1989-01-31 US disclosed
US-4777293-A Method for the synthesis of pharmacologically active compounds and intermediates for such synthesis AKTIEBOLAGET HASSLE (SE) 1988-10-11 US disclosed
EP-0184473-A1 Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives MERCK & CO. INC. (US) 1986-06-11 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-20020035278-A1 Methods for synthesis of substituted tetrahydrofuran compound DHFR, CYP3A4, CYP3A5 LGALS3 4347/4885LGALS1 4728/4885LGALS9 4598/4885
US-20020040154-A1 Substituted oxygen alicyclic compounds, including methods for synthesis thereof OXER1, COX6C, MT-CO2 LGALS3 2679/4885LGALS1 2341/4885LGALS9 3158/4885
US-20110268822-A1 METHODS FOR SYNTHESIZING KOTALANOL AND STEREOISOMERS AND ANALOGUES THEREOF, AND NOVEL COMPOUNDS PRODUCED THEREBY STS, LSS, CYP51A1 LGALS3 962/4885LGALS1 1041/4885LGALS9 1564/4885

“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.