SCHEMBL7154235

SCHEMBL7154235

CC1(C)OC[C@@H](CC/C=C/CO)O1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
TBXA2R P21731 1/20 0.33
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TBXAS1 P24557 4/20 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
SCHEMBL7156281 1.00 CA2 (0.38) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL4489089 0.84 CA2 (0.39) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL4489093 0.84 CA2 (0.39) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL4489086 0.84 CA2 (0.39) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL591538 0.82 CA2 (0.40) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL10249454 0.82 CA2 (0.40) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL591537 0.82 CA2 (0.40) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL591536 0.82 CA2 (0.40) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL26322303 0.82 CA2 (0.40) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL13631758 0.80 CA2 (0.36) CA2TBXA2RTMEM97SIGMAR1ALDH1A1

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 11 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-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

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-20020040154-A1 Substituted oxygen alicyclic compounds, including methods for synthesis thereof OXER1, COX6C, MT-CO2 CA2 166/4885TBXA2R 106/4885TMEM97 4189/4885

“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.