SCHEMBL660871

SCHEMBL660871

O=C(O)C(Oc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CHRM1 P11229 1/20 0.54
PPARG P37231 4/20 0.50
PPARA Q07869 4/20 0.50
CYP2D6 P10635 1/20 0.48
SRC P12931 1/20 0.48
PTPN1 P18031 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL13324879 1.00 KDM4E (0.55) KDM4EALDH1A1CHRM1PPARGPPARA
SCHEMBL21881586 1.00 KDM4E (0.55) KDM4EALDH1A1CHRM1PPARGPPARA
Hydrogen Sulfide SCHEMBL28780976 0.98 KDM4E (0.54) KDM4EALDH1A1CHRM1PPARGPPARA
SCHEMBL11568688 0.88 PPARG (0.54) KDM4EALDH1A1CHRM1PPARGPPARA
SCHEMBL14889080 0.87 PPARG (0.67) PPARGPPARAMEN1KMT2A
SCHEMBL21881560 0.87 MEN1 (0.58) KDM4EALDH1A1CHRM1PPARGPPARA
SCHEMBL7411362 0.87 KDM4E (0.52) KDM4EALDH1A1CHRM1PPARGPPARA
SCHEMBL21881525 0.87 PPARG (0.59) KDM4EALDH1A1PPARGPPARAMEN1
SCHEMBL5944601 0.87 MEN1 (0.58) KDM4EALDH1A1CHRM1PPARGPPARA
SCHEMBL8935861 0.87 KDM4E (0.52) KDM4EALDH1A1CHRM1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103539760-B (phenoxy) phenylacetic acid class endothelin antagonist and preparation method thereof and application SOUTHEAST UNIVERSITY (CN) 2016-04-13 CN claimed
CN-103539760-A Phenoxy phenylacetic acid endothelin antagonist, and preparation method and application thereof UNIV SOUTHEAST 2014-01-29 CN claimed
CN-101180379-B Dihydroxy enol compounds used in chemical mechanical polishing compositions having metal ion oxidizers AIR PROD & CHEM 2013-07-24 CN claimed
CN-102731466-A Diarylo[d,f]oxa-cycloheptane-3-ketone compound and synthesis method thereof UNIV HEILONGJIANG 2012-10-17 CN claimed
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 US claimed
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed
CN-101180379-A Dihydroxy enol compounds used in chemical mechanical polishing compositions having metal ion oxidizers DUPONT AIR PROD NANOMATERIALS (US) 2008-05-14 CN claimed
US-20070203243-A1 RESOLUTION OF ALPHA-(PHENOXY) PHENYLACETIC ACID DERIVATIVES METABOLEX, INC. (US) 2007-08-30 US claimed
US-7199259-B2 Resolution of α-(phenoxy)phenylacetic acid derivatives METABOLEX, INC. (US) 2007-04-03 US claimed
EP-1635809-A4 RESOLUTION OF ALPHA-(PHENOXY)PHENYLACETIC ACID DERIVATIVES METABOLEX INC (US) 2006-09-27 EP claimed
JP-2001501449-A 2001-02-06 JP claimed
EP-0873334-A1 PROCESS FOR THE PREPARATION OF AN ENDOTHELIN ANTAGONIST Merck & Co., Inc. (a New Jersey corp.) (US) 1998-10-28 EP claimed
EP-0868535-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES Rapigene, Inc. (US) 1998-10-07 EP claimed
US-5688974-A Process for the preparation of an endothelin antagonist MERCK & CO., INC. (US) 1997-11-18 US claimed
WO-1997027331-A9 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES 1997-10-09 WO claimed
WO-1997027331-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES RAPIGENE, INC. (US) 1997-07-31 WO claimed
WO-1997021700-A1 PROCESS FOR THE PREPARATION OF AN ENDOTHELIN ANTAGONIST MERCK & CO., INC. (US) 1997-06-19 WO claimed
EP-0278176-B1 Compounds having antitumour and antibacterial properties WARNER LAMBERT CO (US) 1994-03-09 EP claimed
EP-0338306-A2 Halogen-substituted phenoxybenzyl compounds BAYER AG (DE) 1989-10-25 EP claimed
EP-0278176-A2 Compounds having antitumour and antibacterial properties WARNER-LAMBERT COMPANY (US) 1988-08-17 EP claimed

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-20070203243-A1 RESOLUTION OF ALPHA-(PHENOXY) PHENYLACETIC ACID DERIVATIVES PAH, HPD, IDUA KDM4E 1599/4885ALDH1A1 118/4885CHRM1 411/4885
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD KDM4E 3100/4885ALDH1A1 1063/4885CHRM1 84/4885

“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.