SCHEMBL17833491

SCHEMBL17833491

CCCCCCCCOc1c(O)c2ccc(NC(=O)/C=C/c3cc(C)c(O)c(C)c3)cc2n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
TTR P02766 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 2/20 0.38
MCHR1 Q99705 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
SNCA P37840 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1710168 0.91 HTT (0.45) CA12CA9HTTALDH1A1HPGD
SCHEMBL7997918 0.91 HTT (0.45) CA12CA9HTTALDH1A1HPGD
SCHEMBL1710165 0.91 HTT (0.45) CA12CA9HTTALDH1A1HPGD
SCHEMBL7997920 0.91 HTT (0.45) CA12CA9HTTALDH1A1HPGD
SCHEMBL6579161 0.90 HTT (0.51) CA12CA9HTTKDM4EALDH1A1
SCHEMBL6579165 0.90 HTT (0.51) CA12CA9HTTKDM4EALDH1A1
SCHEMBL8001168 0.88 L3MBTL1 (0.49) CA12CA9SAE1UBA2HTT
SCHEMBL8001165 0.88 L3MBTL1 (0.49) CA12CA9SAE1UBA2HTT
SCHEMBL8000967 0.87 HTT (0.44) CA12CA9HTTALDH1A1HPGD
SCHEMBL8000672 0.87 HTT (0.44) CA12CA9HTTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US 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-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 CA12 2746/4885CA9 2603/4885TTR 1659/4885

“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.