SCHEMBL4178653

SCHEMBL4178653

COc1cc(C2OCCO2)cc(OCCOCCOCCOCCN)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
PTPN1 P18031 1/20 0.40
PTAFR P25105 7/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.35
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34

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
SCHEMBL11101046 0.80 ACHE (0.58) ACHEPTPN1PTAFRMEN1KMT2A
SCHEMBL4171458 0.76 BCHE (0.40) PTAFRKMT2AKDM4EALDH1A1GAA
SCHEMBL8886677 0.75 ACHE (0.43) ACHEPTPN1PTAFRHTR2AHTR2C
SCHEMBL13414990 0.74 ACHE (0.54) ACHEPTPN1PTAFRMEN1KMT2A
SCHEMBL4185456 0.73 FDPS (0.51) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL8885280 0.70 ACHE (0.46) ACHEPTPN1PTAFRMEN1KMT2A
SCHEMBL31445795 0.67 HTR2A (0.55) ACHEHTR2AHTR2CHTR2BCYP1A2
SCHEMBL8886456 0.67 FPR2 (0.45) ACHEPTPN1PTAFRMEN1KMT2A
SCHEMBL5783392 0.66 PTPN1 (0.40) ACHEPTPN1PTAFRMEN1KMT2A
SCHEMBL7814590 0.65 ACHE (0.44) ACHEPTPN1PTAFRMEN1KMT2A

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 ACHE 3039/4885PTPN1 3511/4885PTAFR 78/4885
US-20130004430-A1 FLUORESCENT PHOTOPROBE FOR THE IMAGING OF ENDOTHELIN RECEPTORS EDNRB, EDNRA, ECE1 ACHE 3061/4885PTPN1 3524/4885PTAFR 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.