SCHEMBL7154354

SCHEMBL7154354

C#CCC(C)(O)c1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.54
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ELANE P08246 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MAPT P10636 1/20 0.40
PYCR1 P32322 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL17383654 0.78 KMT2A (0.52) KMT2AMEN1LMNAMAPK1PYCR1
SCHEMBL17383658 0.78 PYCR1 (0.39) AOC3KMT2AMEN1ALDH1A1ALOX15
SCHEMBL17383648 0.78 MAOA (0.39) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL19120745 0.78 MAOA (0.39) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL25954061 0.77 ELANE (0.46) AOC3ALDH1A1LMNAALOX15APEX1
SCHEMBL164160 0.77 ELANE (0.46) AOC3ALDH1A1LMNAALOX15APEX1
SCHEMBL7130084 0.77 AOC3 (0.61) AOC3KMT2AMEN1ALDH1A1LMNA
SCHEMBL19148146 0.77 AOC3 (0.61) AOC3KMT2AMEN1ALDH1A1LMNA
SCHEMBL7675171 0.77 CYP2C19 (0.42) KMT2AALDH1A1ALOX15MAPK1MAPT
SCHEMBL17295895 0.76 AOC3 (0.59) AOC3KMT2AMEN1MMP9MMP13

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
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
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 AOC3 1780/4885KMT2A 2857/4885MEN1 2765/4885
US-20020040154-A1 Substituted oxygen alicyclic compounds, including methods for synthesis thereof OXER1, COX6C, MT-CO2 AOC3 129/4885KMT2A 1901/4885MEN1 4295/4885

“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.