SCHEMBL1892269

SCHEMBL1892269

NC[CH]C=Cc1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.60
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
MAOB P27338 3/20 0.45
AKR1B1 P15121 3/20 0.45
PTGS2 P35354 2/20 0.45
AKR1B10 O60218 2/20 0.45
GLO1 Q04760 1/20 0.45
CAMK2A Q9UQM7 1/20 0.45
CYP2C9 P11712 3/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA3 P07451 3/20 0.45
CA4 P22748 3/20 0.45
CA6 P23280 3/20 0.45
CA5A P35218 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45

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
SCHEMBL5179114 0.78 APP (0.94) APPKDM4EALDH1A1MAPTMAOB
SCHEMBL11439096 0.78 APP (0.94) APPKDM4EALDH1A1MAPTMAOB
SCHEMBL9790648 0.77 MAOB (0.59) ALDH1A1MAPTMAOBLMNANPC1
SCHEMBL144447 0.77 MAOB (0.59) ALDH1A1MAPTMAOBLMNANPC1
SCHEMBL10421204 0.77 APP (0.54) APPKDM4EALDH1A1MAPTMAOB
SCHEMBL3526329 0.77 APP (0.54) APPKDM4EALDH1A1MAPTMAOB
SCHEMBL21798645 0.76 APP (1.00) APPKDM4EALDH1A1MAPTMAOB
SCHEMBL2829008 0.76 APP (1.00) APPKDM4EALDH1A1MAPTMAOB
Hydrochloric Acid SCHEMBL11478395 0.76 APP (0.52) APPKDM4EALDH1A1MAPTMAOB
Hydrochloric Acid SCHEMBL11478399 0.76 APP (0.52) APPKDM4EALDH1A1MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935728-B1 Cyclic palladium compounds having coordinated thereto bis (diphenylphosphine) ferrocene ligands which inhibit the activity of proteins and enzymes and treatment of diseases and disorders associated therewith FUNDACAO DE AMPARO A PESQUISA DO ESTADO DE SAO PAULO (BR) 2011-05-03 US disclosed
EP-1534257-B1 CYCLIC PALLADIUM COMPOUNDS HAVING COORDINATED THERETO BIS (DIPHENYLPHOSPHINE) FERROCENE LIGANDS WHICH INHIBIT THE ACTIVITY OF PROTEINS AND ENZYMES AND TREATMENT OF DISEASES AND DISORDERS ASSOCIATED THEREWITH. FUNDACAO DE AMPARO A PESQUISA (BR) 2010-10-20 EP disclosed
US-7432403-B2 Cyclic palladium compounds having coordinated thereto bis (diphenylphosphine) ferrocene ligands which inhibit the activity of proteins and enzymes and treatment of diseases and disorders associated therewith Fundação De Amparo À Pesquisa Do Estado de São Paulo (BR) 2008-10-07 US disclosed
US-20060106100-A1 Cyclic palladium compounds having coordinated thereto bis (diphenylphosphine) ferrocene ligands which inhibit the activity of proteins and enzymes and treatment of diseases and disorders associated therewith FUNDACAO DE AMPARO A PESQUISA DO ESTADO DE SAO PAULO (BR) 2006-05-18 US disclosed
EP-1534257-A1 CYCLIC PALLADIUM COMPOUNDS HAVING COORDINATED THERETO BIS (DIPHENYLPHOSPHINE) FERROCENE LIGANDS WHICH INHIBIT THE ACTIVITY OF PROTEINS AND ENZYMES AND TREATMENT OF DISEASES AND DISORDERS ASSOCIATED THEREWITH. Fundacao de Amparo a Pesquisa do Estado de Sao Paolo (BR) 2005-06-01 EP disclosed
WO-2004019924-A1 CYCLIC PALLADIUM COMPOUNDS HAVING COORDINATED THERETO BIS (DIPHENYLPHOSPHINE) FERROCENE LIGANDS WHICH INHIBIT THE ACTIVITY OF PROTEINS AND ENZYMES AND TREATMENT OF DISEASES AND DISORDERS ASSOCIATED THEREWITH. FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO - FAPESP (BR) 2004-03-11 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 (1 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-20060106100-A1 Cyclic palladium compounds having coordinated thereto bis (diphenylphosphine) ferrocene ligands which inhibit the activity of proteins and enzymes and treatment of diseases and disorders associated therewith PREP, DNPEP, RNASE1 APP 1768/4885KDM4E 2380/4885ALDH1A1 3738/4885

“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.