SCHEMBL1798406

SCHEMBL1798406

COc1cc(C#N)ccc1C#CC(C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TTBK1 Q5TCY1 1/20 0.41
ALK Q9UM73 1/20 0.41
CFB P00751 3/20 0.40
PGR P06401 3/20 0.38
NR3C1 P04150 2/20 0.37
NR3C2 P08235 2/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
EGFR P00533 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
SCHEMBL1799535 0.88 AR (0.42) ARKDM4EUSP2ALDH1A1TTBK1
SCHEMBL22396562 0.81 ALDH1A1 (0.44) ARKDM4EUSP2ALDH1A1TTBK1
SCHEMBL24476682 0.78 AR (0.54) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL1794793 0.78 PGK1 (0.45) ARALKL3MBTL1FNTAFNTB
SCHEMBL17672911 0.78 ALK (0.42) KDM4EALDH1A1TTBK1ALKL3MBTL1
SCHEMBL21880257 0.78 LMNA (0.43) KDM4EUSP2ALDH1A1TTBK1LMNA
SCHEMBL1798585 0.75 PGK1 (0.45) ARALKL3MBTL1FNTAFNTB
SCHEMBL1797171 0.74 AR (0.49) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL1795798 0.74 PDK1 (0.43) ALKEGFR
SCHEMBL6357681 0.73 ASIC3 (0.39) TTBK1ALKLMNAL3MBTL1EGFR

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 4850/4885KDM4E 2058/4885USP2 4114/4885

“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.