SCHEMBL22734852

SCHEMBL22734852

Cn1cc(CCC(=O)OC(=O)C(C)(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
GAA P10253 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL4422019 0.80 MEN1 (0.54) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6133131 0.78 CYP4F2 (0.51) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4414182 0.75 MEN1 (0.48) MEN1KMT2AHSD17B10PARP1ALDH1A1
SCHEMBL4573217 0.75 MEN1 (0.48) MEN1KMT2AHSD17B10PARP1ALDH1A1
SCHEMBL17824738 0.73 MEN1 (0.47) MEN1KMT2AHSD17B10PARP1ALDH1A1
SCHEMBL4662749 0.73 MEN1 (0.47) MEN1KMT2AHSD17B10PARP1ALDH1A1
SCHEMBL28856739 0.69 RXRA (0.47) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9776 0.69 MEN1 (0.43) MEN1KMT2AHSD17B10PARP1ALDH1A1
SCHEMBL23932729 0.69 MEN1 (0.46) MEN1KMT2AHSD17B10PARP1ALDH1A1
Trifluoroacetic Acid SCHEMBL31753139 0.69 MEN1 (0.41) MEN1KMT2AHSD17B10PARP1ALDH1A1

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-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 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-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF SHARPIN, PIR, THPO MEN1 1134/4885KMT2A 2446/4885HSD17B10 4447/4885

“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.