SCHEMBL385595

SCHEMBL385595

COC(=O)C1Cc2ccc(OC)cc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.61
METAP1 P53582 1/20 0.52
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL31562781 1.00 ACHE (0.61) ACHEMETAP1KDM4EMEN1ALDH1A1
SCHEMBL2466607 0.88 METAP1 (0.53) ACHEMETAP1KDM4EMEN1ALDH1A1
SCHEMBL6881129 0.87 ACHE (0.63) ACHEMETAP1KDM4EMEN1ALDH1A1
SCHEMBL7771760 0.87 ACHE (0.63) ACHEMETAP1KDM4EMEN1ALDH1A1
SCHEMBL6383092 0.86 ALDH1A1 (0.70) ACHEMETAP1KDM4EMEN1ALDH1A1
SCHEMBL345475 0.86 ACHE (0.51) ACHEMETAP1
SCHEMBL17515294 0.84 ACHE (0.55) ACHEMETAP1KDM4EMEN1ALDH1A1
SCHEMBL7222116 0.83 ACHE (0.49) ACHEMETAP1KDM4EMAPT
SCHEMBL23731241 0.82 KDM4E (0.49) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL4015424 0.82 ACHE (0.56) ACHEKDM4EMEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504675-B2 Alpha-ketoheterocycles and methods of making and using THE SCRIPPS RESEARCH INSTITUTE (US) 2016-11-29 US disclosed
US-9504675-B2 Alpha-ketoheterocycles and methods of making and using THE SCRIPPS RESEARCH INSTITUTE (US) 2016-11-29 US disclosed
US-9376384-B2 Diaryliodonium salt UBE INDUSTRIES, LTD. (JP) 2016-06-28 US disclosed
US-9376384-B2 Diaryliodonium salt UBE INDUSTRIES, LTD. (JP) 2016-06-28 US disclosed
US-20160046566-A1 DIARYLIODONIUM SALT UBE INDUSTRIES, LTD. (JP) 2016-02-18 US disclosed
US-20160046566-A1 DIARYLIODONIUM SALT UBE INDUSTRIES, LTD. (JP) 2016-02-18 US disclosed
EP-2670245-B1 ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING SCRIPPS RESEARCH INST (US) 2015-09-09 EP disclosed
EP-2670245-A1 ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING The Scripps Research Institute (US) 2013-12-11 EP disclosed
WO-2012106569-A1 ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING BOGER DALE L (US) 2012-08-09 WO disclosed
US-8101638-B2 6-substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20060014956-A1 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY 2006-01-19 US disclosed
EP-1613597-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2006-01-11 EP disclosed
WO-2005121137-A1 ASYMMETRIC MICHAEL AND ALDOL ADDITION USING BIFUNCTIONAL CINCHONA-ALKALOID-BASED CATALYSTS BRANDEIS UNIVERSITY (US) 2005-12-22 WO disclosed
EP-1047674-B1 PROCESS FOR PRODUCTION OF DONEPEZIL DERIVATIVES EISAI CO LTD (JP) 2005-03-30 EP disclosed
WO-2004080968-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 WO disclosed
EP-0700905-B1 Tricyclic pyrazole derivatives HOFFMANN LA ROCHE (CH) 2001-10-31 EP disclosed
US-5561150-A 1-AMINOALKYL-1,4-DIHYDROINDENO(2,1-C)PYRAZOLES OR 1H-BENZ(G)INDAZOLES; SEROTONIN RECEPTOR ANTAGONISTS; ANTIDEPRESSANTS; NERVOUS SYSTEM, PSYCHOLOGICAL AND GASTROINTESTINAL DISORDERS HOFFMAN-LA ROCHE INC. (US) 1996-10-01 US disclosed
EP-0700905-A1 Tricyclic pyrazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1996-03-13 EP disclosed
US-4939160-A Nootropic agents CIBA-GEIGY CORPORATION (US) 1990-07-03 US disclosed
US-4833169-A MEMORY ACTIVATORS CIBA-GEIGY CORPORATION (US) 1989-05-23 US 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-20160046566-A1 DIARYLIODONIUM SALT AGTR2, KCNA5, AGTR1 ACHE 4511/4885METAP1 2799/4885KDM4E 1145/4885
US-20060014956-A1 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts ALDH3A1, NQO1, DERA ACHE 756/4885METAP1 1441/4885KDM4E 3337/4885

“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.