SCHEMBL1129749

SCHEMBL1129749

CC(=O)Oc1ccccc1CO[C]=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HMGB1 P09429 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GGT1 P19440 1/20 0.46
PTGS1 P23219 1/20 0.46
BLM P54132 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 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
SCHEMBL6665890 0.82 PTGS2 (0.52) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL2797501 0.81 ALDH1A1 (0.53) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL16623989 0.81 PTGS2 (0.50) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL9263634 0.79 PTGS2 (0.49) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL7121792 0.79 PTGS2 (0.49) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL65021 0.79 IDO1 (0.58) KDM4EALDH1A1HPGDMAPT
SCHEMBL68677 0.78 PTGS2 (0.55) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL30850062 0.78 PTGS2 (0.55) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL11589528 0.78 PTGS2 (0.55) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL10924111 0.77 PTGS2 (0.53) PTGS2KDM4EHSD17B10ALDH1A1ESR1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265849-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2002-12-18 EP claimed
WO-2001070672-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2001-09-27 WO claimed
US-20170247342-A1 PRODUCTION METHOD FOR 3,3-DIMETHYL-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD SANTEN PHARMACEUTICAL CO., LTD. (JP) 2017-08-31 US disclosed
US-9676703-B2 Production method for 3,3-dimethyl-3,4-dihydro-1H-quinoxalin-2-one derivative and intermediate for said production method SANTEN PHARMACEUTICAL CO., LTD. (JP) 2017-06-13 US disclosed
US-20160200690-A1 PRODUCTION METHOD FOR 3,3-DIMETHYL-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD SANTEN PHARMACEUTICAL CO., LTD. (JP) 2016-07-14 US disclosed
EP-3031802-A1 PRODUCTION METHOD FOR 3, 3-DIMETHYL-3, 4-DIHYDRO-1H-QUINOXALINE-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD Santen Pharmaceutical Co., Ltd (JP) 2016-06-15 EP disclosed
EP-2282753-A1 ASSAY FOR PATHOGENIC CONFORMERS Novartis AG (CH) 2011-02-16 EP disclosed
EP-2146632-A1 COMPOSITIONS AND METHODS FOR CELLULAR IMAGING AND THERAPY The Board of Regents of The University of Texas System (US) 2010-01-27 EP disclosed
WO-2009134942-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG. (CH) 2009-11-05 WO disclosed
WO-2008130439-A1 COMPOSITIONS AND METHODS FOR CELLULAR IMAGING AND THERAPY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-10-30 WO disclosed
WO-2007047305-A1 METHODS OF TREATING AMYLOIDOSIS USING CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2007-04-26 WO disclosed
EP-1773758-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
WO-2006010094-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-01-26 WO disclosed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP disclosed
EP-1265849-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2002-12-18 EP disclosed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO disclosed
WO-2001070672-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2001-09-27 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-20170247342-A1 PRODUCTION METHOD FOR 3,3-DIMETHYL-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD CBR3, NOS3, CBR1 PTGS2 364/4885KDM4E 1362/4885HSD17B10 330/4885
US-20160200690-A1 PRODUCTION METHOD FOR 3,3-DIMETHYL-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD CBR3, NOS3, CBR1 PTGS2 361/4885KDM4E 1301/4885HSD17B10 316/4885

“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.