SCHEMBL7157902

SCHEMBL7157902

OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C1CCCO1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.31
PDE4A P27815 1/20 0.31
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL1859978 0.94 L3MBTL1 (0.37) L3MBTL1LMNATDP1MAPTCYP2C19
SCHEMBL374291 0.90 LMNA (0.46) L3MBTL1LMNATDP1MAPTKDM4E
SCHEMBL1870865 0.86 GAA (0.32) L3MBTL1LMNAGAA
SCHEMBL6955217 0.84 LMNA (0.42) L3MBTL1LMNATDP1MAPTKDM4E
SCHEMBL4444063 0.81 SLC6A3 (0.33)
SCHEMBL13955722 0.78 LMNA (0.50) L3MBTL1LMNATDP1MAPTKDM4E
SCHEMBL15604555 0.77 NOS2 (0.36) L3MBTL1LMNAGAA
SCHEMBL25246024 0.76 TDP1 (0.52) L3MBTL1LMNATDP1MAPTKDM4E
SCHEMBL1538500 0.76 TDP1 (0.52) L3MBTL1LMNATDP1MAPTKDM4E
SCHEMBL21794157 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566538-B1 Preparation of 5-(aryloxymethyl)-g-butyrolactone derivatives MILLENNIUM PHARMACEUTICALS, INC. 2003-05-20 US disclosed
US-6541647-B2 Active materials; drugs; antiinflammatory agents; antiallergens MILLENNIUM PHARMACEUTICALS, INC. 2003-04-01 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
CN-1313857-A Process for the synthesis of substituted tetrahydrofuran compounds LEUKOSITE INC (US) 2001-09-19 CN 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

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-20020035278-A1 Methods for synthesis of substituted tetrahydrofuran compound DHFR, CYP3A4, CYP3A5 L3MBTL1 4740/4885LMNA 2041/4885TDP1 3624/4885
US-20020040154-A1 Substituted oxygen alicyclic compounds, including methods for synthesis thereof OXER1, COX6C, MT-CO2 L3MBTL1 4653/4885LMNA 3957/4885TDP1 3528/4885

“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.