SCHEMBL313967

SCHEMBL313967

CC(=O)C1C(=O)CC(C)(C)CC1=O.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
MAPT P10636 8/20 0.57
KDM4E B2RXH2 3/20 0.57
POLB P06746 2/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 3/20 0.41
HIF1A Q16665 3/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL313930 0.98 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL10507979 0.80 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL11304206 0.79 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL16426789 0.78 FFAR3 (0.41) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL10887665 0.77 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL3631729 0.76 ALDH1A1 (0.71) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL1743259 0.75 TLR4 (0.32) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL9193723 0.74 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL9298979 0.74 MAPT (0.55) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL10886851 0.72 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093227-B2 Monosaccharide compounds and methods therefor ALCHEMIA PTY LTD (AU) 2012-01-10 US disclosed
US-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR ALCHEMIA PTY LTD. (AU) 2010-07-22 US disclosed
EP-1326873-A4 COMBINATORIAL LIBRARIES OF MONOSACCHARIDES ALCHEMIA PTY LTD (AU) 2007-12-19 EP disclosed
EP-1326873-A1 COMBINATORIAL LIBRARIES OF MONOSACCHARIDES Alchemia Pty Ltd (AU) 2003-07-16 EP disclosed
WO-2002032915-A1 COMBINATORIAL LIBRARIES OF MONOSACCHARIDES ALCHEMIA PTY LTD (AU) 2002-04-25 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-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR SLC5A1, UGGT1, MRPL21 ALDH1A1 912/4885MAPT 4099/4885KDM4E 3609/4885

“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.