SCHEMBL1727261

SCHEMBL1727261

N#CCCOCCOCC#N

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRNA7 P36544 1/20 0.31
LOX P28300 1/20 0.30
LOXL3 P58215 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL6860635 0.94
SCHEMBL6609352 0.88 ALDH1A1 (0.47) ALDH1A1TDP1LOXLOXL3LOXL2
SCHEMBL1727052 0.88 ALDH1A1 (0.47) ALDH1A1TDP1LOXLOXL3LOXL2
SCHEMBL20514711 0.88 MEN1 (0.32) CHRNA7
SCHEMBL15412364 0.88 ALDH1A1 (0.47) ALDH1A1TDP1LOXLOXL3LOXL2
SCHEMBL11126139 0.88 MEN1 (0.32) CHRNA7
SCHEMBL1263638 0.88 ALDH1A1 (0.47) ALDH1A1TDP1LOXLOXL3LOXL2
SCHEMBL28176269 0.86 ALDH1A1 (0.39) ALDH1A1TDP1LOXLOXL3LOXL2
SCHEMBL193470 0.85
SCHEMBL19432257 0.85 CHRNA7 (0.31) ALDH1A1TDP1CHRNA7

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 13 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-20050233399-A1 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON 2005-10-20 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
EP-1105517-A4 RAPID QUANTITATIVE ANALYSIS OF PROTEINS OR PROTEIN FUNCTION IN COMPLEX MIXTURES UNIV WASHINGTON (US) 2001-09-19 EP disclosed
EP-1105517-A1 RAPID QUANTITATIVE ANALYSIS OF PROTEINS OR PROTEIN FUNCTION IN COMPLEX MIXTURES UNIVERSITY OF WASHINGTON (US) 2001-06-13 EP disclosed
WO-2000011208-A1 RAPID QUANTITATIVE ANALYSIS OF PROTEINS OR PROTEIN FUNCTION IN COMPLEX MIXTURES UNIVERSITY OF WASHINGTON (US) 2000-03-02 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-20020076739-A1 Rapid quantitative analysis of proteins or protein function in complex mixtures PRTN3, RPS27A, PA2G4 ALDH1A1 4601/4885TDP1 4040/4885CHRNA7 4500/4885
US-20030087322-A9 Rapid quantitative analysis of proteins or protein function in complex mixtures PRTN3, RPS27A, PA2G4 ALDH1A1 4601/4885TDP1 4040/4885CHRNA7 4500/4885

“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.