SCHEMBL4344736

SCHEMBL4344736

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nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL7952200 0.94 ALDH1A1 (0.35) ALDH1A1TDP1TSHRGAA
SCHEMBL10840351 0.76 HMGCR (0.44) ALDH1A1TDP1TSHR
SCHEMBL25962684 0.74
SCHEMBL22995721 0.73 ALDH1A1 (0.30) ALDH1A1TDP1
Acetic Acid SCHEMBL22472063 0.73 CA1 (0.32) ALDH1A1TDP1TSHR
SCHEMBL8520867 0.73
SCHEMBL8520422 0.73
SCHEMBL22757208 0.72 ALDH1A1 (0.32) ALDH1A1TDP1TSHR
SCHEMBL15604413 0.70 GAA (0.46) ALDH1A1TDP1TSHRGAA
SCHEMBL11735750 0.69 ALDH1A1 (0.39) ALDH1A1TDP1TSHR

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 ALDH1A1 1725/4885TDP1 957/4885TSHR 337/4885
US-20130004430-A1 FLUORESCENT PHOTOPROBE FOR THE IMAGING OF ENDOTHELIN RECEPTORS EDNRB, EDNRA, ECE1 ALDH1A1 1697/4885TDP1 957/4885TSHR 339/4885

“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.