SCHEMBL6545751

SCHEMBL6545751

C=CCOC(=O)c1ccoc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
SNCA P37840 1/20 0.51
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RHOA P61586 1/20 0.39
TRPA1 O75762 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL175786 0.79 SNCA (0.67) CYP3A4SNCAMEN1KMT2AKDM4E
SCHEMBL6830882 0.77 PTPN1 (0.47) CYP3A4MAPTMEN1KMT2AKDM4E
SCHEMBL7772673 0.77 PTPN1 (0.47) CYP3A4MAPTMEN1KMT2AKDM4E
SCHEMBL624090 0.77 CA12 (0.53) CYP3A4ALDH1A1TSHRPTPN1PTPN6
SCHEMBL254063 0.75 CYP3A4 (0.59) CYP3A4SNCAMAPTMEN1KMT2A
SCHEMBL3769158 0.75 SNCA (0.67) CYP3A4SNCAMAPTMEN1KMT2A
SCHEMBL7755245 0.75 TDP1 (0.44) CYP3A4MAPTGAAALDH1A1TSHR
SCHEMBL17386391 0.74 SNCA (0.61) CYP3A4SNCAMEN1KMT2AKDM4E
Benzene SCHEMBL28207781 0.74 CYP3A4 (0.69) CYP3A4SNCAMAPTMEN1KMT2A
SCHEMBL461801 0.74 SNCA (0.61) CYP3A4SNCAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2726202-B1 METHOD FOR THE PREPARATION OF PALLADIUM(I) TRI-TERT-BUTYLPHOSPHINE BROMIDE DIMER UMICORE AG & CO KG (DE) 2018-05-16 EP disclosed
EP-2726202-B1 METHOD FOR THE PREPARATION OF PALLADIUM(I) TRI-TERT-BUTYLPHOSPHINE BROMIDE DIMER UMICORE AG & CO KG (DE) 2018-05-16 EP disclosed
US-9192927-B2 Method for the preparation of palladium(I) tri-tert-butylphosphine bromide dimer and process for its use in isomerization reactions UMICORE AG & CO. KG (DE) 2015-11-24 US disclosed
US-9192927-B2 Method for the preparation of palladium(I) tri-tert-butylphosphine bromide dimer and process for its use in isomerization reactions UMICORE AG & CO. KG (DE) 2015-11-24 US disclosed
US-9192927-B2 Method for the preparation of palladium(I) tri-tert-butylphosphine bromide dimer and process for its use in isomerization reactions UMICORE AG & CO. KG (DE) 2015-11-24 US disclosed
US-20140187803-A1 Method for the Preparation of Palladium(I) Tri-Tert-Butylphosphine Bromide Dimer and Process for its Use in Isomerization Reactions UMICORE AG & CO. KG (DE) 2014-07-03 US disclosed
US-20140187803-A1 Method for the Preparation of Palladium(I) Tri-Tert-Butylphosphine Bromide Dimer and Process for its Use in Isomerization Reactions UMICORE AG & CO. KG (DE) 2014-07-03 US disclosed
US-20140187803-A1 Method for the Preparation of Palladium(I) Tri-Tert-Butylphosphine Bromide Dimer and Process for its Use in Isomerization Reactions UMICORE AG & CO. KG (DE) 2014-07-03 US disclosed
EP-2726202-A1 METHOD FOR THE PREPARATION OF PALLADIUM(I) TRI-TERT-BUTYLPHOSPHINE BROMIDE DIMER AND PROCESS FOR ITS USE IN ISOMERIZATION REACTIONS Umicore AG & Co. KG (DE) 2014-05-07 EP disclosed
WO-2013000874-A1 METHOD FOR THE PREPARATION OF PALLADIUM(I) TRI-TERT-BUTYLPHOSPHINE BROMIDE DIMER AND PROCESS FOR ITS USE IN ISOMERIZATION REACTIONS UMICORE AG & CO. KG (DE) 2013-01-03 WO disclosed
WO-2013000874-A1 METHOD FOR THE PREPARATION OF PALLADIUM(I) TRI-TERT-BUTYLPHOSPHINE BROMIDE DIMER AND PROCESS FOR ITS USE IN ISOMERIZATION REACTIONS UMICORE AG & CO. KG (DE) 2013-01-03 WO disclosed
EP-1250330-B1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEM CO (US) 2004-01-07 EP disclosed
EP-1250330-B1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEM CO (US) 2004-01-07 EP disclosed
EP-1250330-A1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2002-10-23 EP disclosed
EP-1250330-A1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2002-10-23 EP disclosed
WO-2001055127-A1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2001-08-02 WO disclosed
WO-2001055127-A1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2001-08-02 WO disclosed
US-6184394-B1 ALKYL 3-FUROATES FROM 4-ACYL-2,3-DIHYDROFURANS FROM 4-ACYL-2,3-DIHYDRO-FURANS BY HALOGENATING IN THE PRESENCE OF AN ALKANOL FOLLOWED BY CONTACTING WITH A STRONG BASE; DRUGS; ANTINFLAMMATORY AND -FOULING AGENTS EASTMAN CHEMICAL COMPANY 2001-02-06 US disclosed
US-6184394-B1 ALKYL 3-FUROATES FROM 4-ACYL-2,3-DIHYDROFURANS FROM 4-ACYL-2,3-DIHYDRO-FURANS BY HALOGENATING IN THE PRESENCE OF AN ALKANOL FOLLOWED BY CONTACTING WITH A STRONG BASE; DRUGS; ANTINFLAMMATORY AND -FOULING AGENTS EASTMAN CHEMICAL COMPANY 2001-02-06 US 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-20140187803-A1 Method for the Preparation of Palladium(I) Tri-Tert-Butylphosphine Bromide Dimer and Process for its Use in Isomerization Reactions CBR3, TRRAP, TERB1 CYP3A4 1474/4885SNCA 1752/4885MAPT 2290/4885

“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.