SCHEMBL4171458

SCHEMBL4171458

COc1cc(C2OCCO2)cc(OCCOCCOCCOCCNC(=O)OC(C)(C)C)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.40
CNR2 P34972 3/20 0.40
PTAFR P25105 3/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
DRD2 P14416 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL4183391 0.81 ADRB2 (0.42) BCHECNR2ADRB2HTR1ASUCNR1
SCHEMBL4178653 0.76 ACHE (0.40) PTAFRKMT2AKDM4EALDH1A1GAA
SCHEMBL7263013 0.75 BCHE (0.43) BCHECNR2ADRB2HTR1ASUCNR1
SCHEMBL29962406 0.72 BCHE (0.44) BCHECNR2ADRB2HTR1ASUCNR1
SCHEMBL1667818 0.72 BCHE (0.44) BCHECNR2ADRB2HTR1ASUCNR1
SCHEMBL1667842 0.72 BCHE (0.44) BCHECNR2ADRB2HTR1ASUCNR1
SCHEMBL13883179 0.71 BCHE (0.47) BCHECNR2ADRB2HTR1ASUCNR1
SCHEMBL12522223 0.70 KDM4E (0.43) BCHECNR2ADRB2HTR1ASUCNR1
SCHEMBL18544320 0.70 FDPS (0.59) KMT2AKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL11101046 0.70 ACHE (0.58) PTAFRKMT2AKDM4EALDH1A1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130004430-A1 FLUORESCENT PHOTOPROBE FOR THE IMAGING OF ENDOTHELIN RECEPTORS BREMER CHRISTOPH (DE) 2013-01-03 US disclosed
US-8212058-B2 Fluorescent photoprobe for the imaging of endothelin receptors Universitatskilinikum Munster (DE) 2012-07-03 US disclosed
US-20090169483-A1 FLUORESCENT PHOTOPROBE FOR THE IMAGING OF ENDOTHELIN RECEPTORS UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-07-02 US disclosed
EP-1931392-A2 A FLUORESCENT PHOTOPROBE FOR THE IMAGING OF ENDOTHELIN RECEPTORS Universitätsklinikum Münster (DE) 2008-06-18 EP disclosed
WO-2007028599-A2 A FLUORESCENT PHOTOPROBE FOR THE IMAGING OF ENDOTHELIN RECEPTORS Universitätsklinikum Münster (DE) 2007-03-15 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-20090169483-A1 FLUORESCENT PHOTOPROBE FOR THE IMAGING OF ENDOTHELIN RECEPTORS EDNRB, EDNRA, ECE1 BCHE 2453/4885CNR2 218/4885PTAFR 78/4885
US-20130004430-A1 FLUORESCENT PHOTOPROBE FOR THE IMAGING OF ENDOTHELIN RECEPTORS EDNRB, EDNRA, ECE1 BCHE 2452/4885CNR2 222/4885PTAFR 78/4885

“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.