SCHEMBL5066733

SCHEMBL5066733

CC(=O)NC(CCCCCC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.43
NOD1 Q9Y239 4/20 0.42
GNPAT O15228 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
ALB P02768 2/20 0.39
CTSK P43235 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5279118 0.88 CTSK (0.50) NOD1ALDH1A1CTSKMEN1GAA
SCHEMBL2074961 0.88 CTSK (0.50) NOD1ALDH1A1CTSKMEN1GAA
SCHEMBL17637824 0.88 MAPT (0.46) FOLH1GNPATSMN1; SMN2KDM4EMAPT
SCHEMBL29400699 0.88 MAPT (0.46) FOLH1GNPATSMN1; SMN2KDM4EMAPT
SCHEMBL19365108 0.88 MAPT (0.46) FOLH1GNPATSMN1; SMN2KDM4EMAPT
SCHEMBL8360180 0.85 MEN1 (0.40) FOLH1NOD1ALDH1A1CTSKMEN1
SCHEMBL5057123 0.85 KMT2A (0.51) NOD1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL557473 0.82 NOD1 (0.56) FOLH1NOD1GNPATKMT2ASLC6A5
SCHEMBL29354600 0.82 GNPAT (0.45) FOLH1GNPATSMN1; SMN2KDM4EMAPT
SCHEMBL17600320 0.82 CTSK (0.52) ALDH1A1CTSKMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004290-A1 Anti-Cancer Agents THE UNIVERSITY OF QUEENSLAND (AU) 2008-01-03 US disclosed
EP-1694640-A4 ANTI-CANCER AGENTS UNIV QUEENSLAND (AU) 2007-01-10 EP disclosed
EP-1694640-A1 ANTI-CANCER AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2006-08-30 EP disclosed
WO-2005051901-A1 ANTI-CANCER AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2005-06-09 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 (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-20080004290-A1 Anti-Cancer Agents TP53, TOP2A, MCL1 FOLH1 170/4885NOD1 4553/4885GNPAT 1235/4885

“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.