SCHEMBL12799441

SCHEMBL12799441

CCN(CC)c1ccc(C(O)c2ccccc2C(C)=O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 12/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
USP2 O75604 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAOB P27338 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 11/20 0.40
KDM4E B2RXH2 6/20 0.40
GAA P10253 6/20 0.39

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
SCHEMBL17288014 0.90 KMT2A (0.61) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL3830414 0.85 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL3826986 0.80 TSHR (0.52) MEN1KMT2ASMN1; SMN2L3MBTL1LMNA
SCHEMBL17429824 0.79 MEN1 (0.56) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL3825700 0.78 MAPT (0.48) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL3830845 0.78 KMT2A (0.40) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL10020928 0.78 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL4743736 0.76 MEN1 (0.80) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL8072839 0.76 MEN1 (0.61) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL27913467 0.72 MEN1 (0.89) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906684-B2 Antioxidants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-03-15 US disclosed
US-20090246158-A1 ANTIOXIDANTS MERCK PATENT GESELLSCHAFT (DE) 2009-10-01 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-20090246158-A1 ANTIOXIDANTS LPO, GPX1, GPX4 MEN1 2805/4885KMT2A 2864/4885SMN1; SMN2 1726/4885

“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.