SCHEMBL4730776

SCHEMBL4730776

CCOC(=O)C1Cc2cc(OC)ccc2C1=O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
KDM4E B2RXH2 3/20 0.70
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
GAA P10253 1/20 0.70
MAPT P10636 1/20 0.70
HPGD P15428 1/20 0.70
HSD17B10 Q99714 1/20 0.70
METAP1 P53582 2/20 0.52
CYP19A1 P11511 1/20 0.48
PPARG P37231 3/20 0.46
TSHR P16473 1/20 0.44
CYP24A1 Q07973 3/20 0.44
CYP26A1 O43174 2/20 0.44
CYP27A1 Q02318 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL6383092 0.90 ALDH1A1 (0.70) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL972021 0.87 CYP24A1 (0.53) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL7290713 0.87 CYP24A1 (0.53) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL2466607 0.86 METAP1 (0.53) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL8036388 0.84 KMT2A (0.74) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL8046948 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL2061479 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL15825184 0.83 KMT2A (0.72) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL27236981 0.83 KMT2A (0.72) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL4726216 0.81 KDM4E (0.78) ALDH1A1KDM4EKMT2AMEN1GAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047701-B1 MITOCHONDRIALLY TARGETED ANTIOXIDANTS ANTIPODEAN BIOTECHNOLOGY LTD (NZ) 2005-05-25 EP claimed
EP-0910370-B1 COMPOSITIONS COMPRISING A NITRONE COMPOUND FOR USE IN TREATING UVEITIS CENTAUR PHARMACEUTICALS INC (US) 2004-04-07 EP claimed
WO-2008057309-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
WO-2008057309-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones MERCK & CO., INC. 2007-12-20 US disclosed
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones MERCK & CO., INC. 2007-12-20 US disclosed
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones MERCK & CO., INC. 2007-12-20 US disclosed
EP-1819656-A2 SYNTHESIS OF 1,5-DISTRIBUTED-2-HYDROXY-GIBBATETRAEN-6-ONES Merck & Co., Inc. (US) 2007-08-22 EP disclosed
EP-1809594-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-07-25 EP disclosed
US-7151196-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-12-19 US disclosed
WO-2006050402-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-05-11 WO disclosed
US-20060094779-A1 Estrogen receptor modulators MERCK SHARP & DOHME CORP. 2006-05-04 US disclosed
EP-1047674-B1 PROCESS FOR PRODUCTION OF DONEPEZIL DERIVATIVES EISAI CO LTD (JP) 2005-03-30 EP disclosed
EP-0813537-B1 PHOSPHORYLATED NITRONE DERIVATIVES, METHOD FOR PREPARING SAME, AND COMPOSITIONS CONTAINING SAID DERIVATIVES CENTRE NAT RECH SCIENT (FR) 2002-06-26 EP disclosed
EP-1047674-A1 PROCESS FOR PRODUCTION OF DONEPEZIL DERIVATIVES Eisai Co., Ltd. (JP) 2000-11-02 EP disclosed
EP-0991772-A1 METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS Biocatalytics, Inc. (US) 2000-04-12 EP disclosed
WO-1999036405-A1 PROCESS FOR PRODUCTION OF DONEPEZIL DERIVATIVE EISAI CO., LTD. (JP) 1999-07-22 WO disclosed
WO-1998054350-A1 METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS BIOCATALYTICS, INC. (US) 1998-12-03 WO disclosed
EP-0813537-A1 PHOSPHORYLATED NITRONE DERIVATIVES, METHOD FOR PREPARING SAME, AND COMPOSITIONS CONTAINING SAID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1997-12-29 EP disclosed
WO-1996027601-A1 PHOSPHORYLATED NITRONE DERIVATIVES, METHOD FOR PREPARING SAME, AND COMPOSITIONS CONTAINING SAID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 1996-09-12 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-20060094779-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA ALDH1A1 1917/4885KDM4E 2393/4885KMT2A 1108/4885
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones ESR1, GPER1, CYP19A1 ALDH1A1 305/4885KDM4E 454/4885KMT2A 729/4885

“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.