SCHEMBL2597631

SCHEMBL2597631

O=C(O)CCOc1ccc2ccccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.69
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HDAC1 Q13547 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 1/20 0.54
PPARG P37231 4/20 0.54
PPARA Q07869 2/20 0.54
PPARD Q03181 1/20 0.54
CPT2 P23786 1/20 0.54
CPT1A P50416 1/20 0.54
CPT1B Q92523 1/20 0.54
ALOX5 P09917 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NCOA2 Q15596 2/20 0.53
NCOA1 Q15788 2/20 0.53
NCOA3 Q9Y6Q9 2/20 0.53

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
SCHEMBL20886118 0.91 PTPN7 (0.67) PTPN7KDM4EALDH1A1MAPK1TDP1
SCHEMBL30539402 0.91 PTPN7 (0.67) PTPN7KDM4EALDH1A1MAPK1TDP1
SCHEMBL10722424 0.90 HDAC1 (0.68) PTPN7KDM4EALDH1A1MAPK1TDP1
SCHEMBL20910939 0.88 HDAC1 (0.71) PTPN7KDM4EALDH1A1MAPK1TDP1
SCHEMBL20886119 0.88 HDAC1 (0.71) PTPN7KDM4EALDH1A1MAPK1TDP1
SCHEMBL8355645 0.88 HDAC1 (0.71) PTPN7KDM4EALDH1A1MAPK1TDP1
SCHEMBL10727767 0.88 HDAC1 (0.71) PTPN7KDM4EALDH1A1MAPK1TDP1
SCHEMBL31297136 0.88 HDAC1 (0.71) PTPN7KDM4EALDH1A1MAPK1TDP1
SCHEMBL10946815 0.86 KDM4E (0.61) PTPN7KDM4EALDH1A1MAPK1TDP1
SCHEMBL6483474 0.86 PTPN7 (0.60) PTPN7KDM4EALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130316907-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS NUFARM AUSTRALIA LIMITED (AU) 2013-11-28 US claimed
WO-2011143690-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS NUFARM AUSTRALIA LIMITED (AU) 2011-11-24 WO claimed
EP-4294878-A1 COATING COMPOSITION COMPRISING A PIGMENT PASTE COMPRISING AN ORGANIC PIGMENT AND AN ARYL-MODIFIED BRANCHED REACTION PRODUCT BASF Coatings GmbH (DE) 2023-12-27 EP disclosed
WO-2022175076-A1 COATING COMPOSITION COMPRISING A PIGMENT PASTE COMPRISING AN ORGANIC PIGMENT AND AN ARYL-MODIFIED BRANCHED REACTION PRODUCT BASF COATINGS GMBH (DE) 2022-08-25 WO disclosed
WO-2019072553-A1 HYPERBRANCHED POLYMERS FOR ORGANIC PIGMENT DISPERSIONS AND WATER-SENSITIVE PIGMENTS BASF COATINGS GMBH (DE) 2019-04-18 WO disclosed
US-8962527-B2 Process for preparation of herbicidal salts NUFARM AUSTRALIA LIMITED (AU) 2015-02-24 US disclosed
US-20130316907-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS NUFARM AUSTRALIA LIMITED (AU) 2013-11-28 US disclosed
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US disclosed
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US disclosed
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US disclosed
WO-2011143690-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS NUFARM AUSTRALIA LIMITED (AU) 2011-11-24 WO disclosed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 US disclosed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 US disclosed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 US disclosed
EP-0250530-A1 NEW ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1988-01-07 EP disclosed
WO-1987004152-A1 NEW ARYL DERIVATIVES THE WELLCOME FOUNDATION LTD. (GB) 1987-07-16 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-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use TXNRD2, HADHA, PRDX5 PTPN7 4428/4885KDM4E 3075/4885ALDH1A1 477/4885
US-20130316907-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS DDT, DDC, HDHD5 PTPN7 733/4885KDM4E 260/4885ALDH1A1 534/4885

“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.