SCHEMBL4183391

SCHEMBL4183391

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
HTR1A P08908 1/20 0.42
BCHE P06276 2/20 0.41
CNR2 P34972 2/20 0.41
FDPS P14324 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
EGFR P00533 1/20 0.39
ITK Q08881 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL18544320 0.87 FDPS (0.59) FDPSALDH1A1MAPTHPGDCYP1A2
SCHEMBL18570044 0.84 CA12 (0.46) ADRB2HTR1ACYP2D6CYP2C19KMT2A
SCHEMBL24266997 0.82 L3MBTL1 (0.42) ALDH1A1MAPTHPGDCYP2D6CYP2C19
SCHEMBL23318482 0.81 ALDH1A1 (0.49) ADRB2HTR1ABCHECNR2FDPS
SCHEMBL18553857 0.81 CA12 (0.41) FDPSALDH1A1CYP2D6CYP2C19KMT2A
SCHEMBL25815655 0.81 BCHE (0.43) ADRB2HTR1ABCHECNR2CYP2D6
SCHEMBL4171458 0.81 BCHE (0.40) ADRB2HTR1ABCHECNR2ALDH1A1
SCHEMBL18544346 0.80 FDPS (0.60) FDPSALDH1A1MAPTHPGDCYP1A2
SCHEMBL18569874 0.80 CA12 (0.43) ADRB2HTR1AALDH1A1MAPTCYP2D6
SCHEMBL24838619 0.79 ADRB2 (0.45) ADRB2HTR1ABCHECNR2FDPS

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 ADRB2 108/4885HTR1A 334/4885BCHE 2453/4885
US-20130004430-A1 FLUORESCENT PHOTOPROBE FOR THE IMAGING OF ENDOTHELIN RECEPTORS EDNRB, EDNRA, ECE1 ADRB2 113/4885HTR1A 350/4885BCHE 2452/4885

“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.