SCHEMBL4372902

SCHEMBL4372902

CCN(CC)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
SLC16A3 O15427 1/20 0.55
ALOX15 P16050 1/20 0.55
SLC16A1 P53985 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NOX1 Q9Y5S8 1/20 0.46
MAPT P10636 5/20 0.44
ATM Q13315 2/20 0.44
MAOB P27338 2/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL17202767 0.87 MEN1 (0.59) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9215585 0.85 MEN1 (0.66) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22938990 0.85 MEN1 (0.84) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL472297 0.85 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL503775 0.85 MEN1 (0.75) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1814072 0.85 MEN1 (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1520808 0.85 MEN1 (0.61) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11545057 0.84 S100B (0.56) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10662726 0.84 MEN1 (0.56) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9617192 0.82 MEN1 (0.79) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1

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-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES JOHNS HOPKINS UNIVERSOTY (US) 2009-11-26 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-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES HCCS, XPO5, DHX15 MEN1 1372/4885KMT2A 2435/4885SMN1; SMN2 2036/4885

“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.