SCHEMBL1727003

SCHEMBL1727003

ClCCCOCCOCCOCCCCl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.31
TP53 P04637 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
SCHEMBL8958353 1.00 TSHR (0.43) TSHRALDH1A1TDP1CA1CA2
SCHEMBL409599 0.96
SCHEMBL10962997 0.92 TSHR (0.43) TSHRALDH1A1TDP1CA1CA2
SCHEMBL11082402 0.89
SCHEMBL20579108 0.85 MEN1 (0.45) TSHRALDH1A1TDP1CA1CA2
SCHEMBL20578805 0.85 CA1 (0.32) TSHRALDH1A1TDP1CA1CA2
SCHEMBL19879952 0.85 CA1 (0.37) TSHRALDH1A1TDP1CA1CA2
SCHEMBL9817124 0.85 TSHR (0.34) TSHRALDH1A1TDP1CA1CA2
SCHEMBL9817087 0.85 TSHR (0.34) TSHRALDH1A1TDP1CA1CA2
SCHEMBL28726457 0.85 MEN1 (0.61) TSHRALDH1A1TDP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012034613-A3 REFRIGERATOR RED BULL GMBH (AT) 2012-05-10 WO disclosed
EP-1329513-B1 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIV WASHINGTON (US) 2011-12-07 EP disclosed
US-7544518-B2 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON (US) 2009-06-09 US disclosed
US-6852544-B2 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON (US) 2005-02-08 US disclosed
US-6670194-B1 Mass spectrometry; screening for changes in the expression of enzymatic activity of specific proteins induced by absence, deficiency or excess of a given protein UNIVERSITY OF WASHINGTON 2003-12-30 US disclosed
EP-1105517-B1 RAPID QUANTITATIVE ANALYSIS OF PROTEINS OR PROTEIN FUNCTION IN COMPLEX MIXTURES UNIV WASHINGTON (US) 2003-10-29 EP disclosed
EP-1329513-A1 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON (US) 2003-07-23 EP disclosed
US-20030087322-A9 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON 2003-05-08 US disclosed
US-20020076739-A1 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON 2002-06-20 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 (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-20020076739-A1 Rapid quantitative analysis of proteins or protein function in complex mixtures PRTN3, RPS27A, PA2G4 TSHR 1779/4885ALDH1A1 4601/4885TDP1 4040/4885
US-20030087322-A9 Rapid quantitative analysis of proteins or protein function in complex mixtures PRTN3, RPS27A, PA2G4 TSHR 1779/4885ALDH1A1 4601/4885TDP1 4040/4885

“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.