SCHEMBL1799535

SCHEMBL1799535

COc1ccc(C#N)cc1C#CC(C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALK Q9UM73 1/20 0.41
NR3C1 P04150 4/20 0.39
NR3C2 P08235 4/20 0.39
PGR P06401 3/20 0.39
TTBK1 Q5TCY1 1/20 0.39
CFB P00751 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
KDM1A O60341 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 1/20 0.36
ALPL P05186 1/20 0.36

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
SCHEMBL21880257 0.91 LMNA (0.43) ALDH1A1KDM4EUSP2TTBK1LMNA
SCHEMBL1798406 0.88 AR (0.42) ARALDH1A1KDM4EUSP2ALK
SCHEMBL2094284 0.78 ALDH1A1 (0.63) ARALDH1A1KDM4EUSP2KDM1A
SCHEMBL1798585 0.78 PGK1 (0.45) ARALKPTGDR2L3MBTL1
SCHEMBL17672911 0.78 ALK (0.42) ALDH1A1KDM4EALKTTBK1L3MBTL1
SCHEMBL1794793 0.75 PGK1 (0.45) ARALKPTGDR2L3MBTL1
SCHEMBL23977436 0.75 AR (0.44) ARALDH1A1KDM4EUSP2PTGDR2
SCHEMBL1798639 0.75 AR (0.44) ARALDH1A1KDM4EUSP2PTGDR2
SCHEMBL16951586 0.74 AR (0.49) ARALDH1A1KDM4EUSP2KDM1A
SCHEMBL1798728 0.74 AR (0.49) ARALDH1A1KDM4EUSP2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951827-B2 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-31 US disclosed
US-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles TIDWELL RICHARD R 2006-11-23 US disclosed
EP-1719767-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles The University of North Carolina at Chapel Hill (US) 2006-11-08 EP 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 (1 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-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles PFAS, DHPS, DDO AR 4850/4885ALDH1A1 3221/4885KDM4E 2058/4885

“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.