SCHEMBL3045582

SCHEMBL3045582

CN(C)c1cc[c]cc1O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
APP P05067 6/20 0.36
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6008290 0.82 EP300 (0.36) EP300KAT2BKAT8APPALDH1A1
SCHEMBL2776293 0.78 KDM4E (0.32) ALDH1A1GAAMAPTTSHR
SCHEMBL1419590 0.74 KDM4E (0.30) GAAMAPT
SCHEMBL744771 0.73
SCHEMBL5684946 0.73 GAA (0.32) GAA
SCHEMBL2035545 0.73 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL6198564 0.72
SCHEMBL2079127 0.71 KDM4E (0.31) GAAMAPT
SCHEMBL27606261 0.71 EP300 (0.37) EP300KAT2BKAT8APPALDH1A1
SCHEMBL27621450 0.71 GAA (0.31) GAA

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
EP-1453783-B1 SUBSTITUTED ARYL-CYCLOALKANES, AND USE THEREOF AS ANTICANCER AGENTS AVENTIS PHARMA SA (FR) 2006-10-04 EP claimed
US-6887904-B2 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-05-03 US claimed
EP-1453783-A1 SUBSTITUTED ARYL-CYCLOALKANES, AND USE THEREOF AS ANTICANCER AGENTS Aventis Pharma S.A. (FR) 2004-09-08 EP claimed
US-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 US claimed
WO-2003048096-A1 SUBSTITUTED ARYL-CYCLOALKANES, AND USE THEREOF AS ANTICANCER AGENTS AVENTIS PHARMA S.A. (FR) 2003-06-12 WO claimed
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
US-8192717-B2 Flavone derivative, chalcone derivative, styrylchromone derivative, or a coumarin derivative with high binding specificity to an amyloid beta protein, high permeability to a blood-brain barrier, and ability to rapidly disappear from sites other than cerebral senile plaque; also drug screening NAGASAKI UNIVERSITY (JP) 2012-06-05 US disclosed
CN-101505803-B Composition for diagnosing amyloid-related disease UNIV NAGASAKI 2011-07-20 CN disclosed
US-20100278733-A1 COMPOSITION FOR DIAGNOSIS OF AMYLOID-RELATED DISEASE NAGASAKI UNIVERSITY (JP) 2010-11-04 US disclosed
CN-101505803-A Composition for diagnosing amyloid-related disease UNIV NAGASAKI (JP) 2009-08-12 CN disclosed
EP-2030635-A1 COMPOSITION FOR DIAGNOSING AMYLOID-RELATED DISEASE Nagasaki University (JP) 2009-03-04 EP disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
CN-1280570-A Substituted fused heterocyclic compounds SANKYO CO (JP) 2001-01-17 CN disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP 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 (3 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 EP300 2865/4885KAT2B 2347/4885KAT8 3196/4885
US-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof ABL1, MCL1, AHR EP300 305/4885KAT2B 1146/4885KAT8 1055/4885
US-20100278733-A1 COMPOSITION FOR DIAGNOSIS OF AMYLOID-RELATED DISEASE APP, FABP7, APBA1 EP300 1828/4885KAT2B 2580/4885KAT8 4701/4885

“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.