SCHEMBL6345356

SCHEMBL6345356

CC(C)CC(=O)c1c[c]ccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.38
FFAR1 O14842 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC25A5 P05141 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL687760 0.79 MAPT (0.46) ALDH1A1L3MBTL1SMN1; SMN2MAPTTDP1
SCHEMBL6952025 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTTDP1LMNA
SCHEMBL1531110 0.77 TDP1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2MAPTTDP1
SCHEMBL4926756 0.77 CES1 (0.37) ALDH1A1L3MBTL1SMN1; SMN2MAPTTDP1
SCHEMBL9799560 0.77 TSHR (0.63) ALDH1A1L3MBTL1SMN1; SMN2MAPTTDP1
SCHEMBL2026026 0.77 TSHR (0.63) ALDH1A1L3MBTL1SMN1; SMN2MAPTTDP1
SCHEMBL5542219 0.76 HPGD (0.49) ALDH1A1L3MBTL1SMN1; SMN2MAPTTDP1
SCHEMBL689066 0.76 GAA (0.41) ALDH1A1L3MBTL1SMN1; SMN2MAPTTDP1
SCHEMBL28215406 0.76 MAPT (0.35) ALDH1A1L3MBTL1SMN1; SMN2MAPTTDP1
SCHEMBL4015017 0.76 GSK3B (0.57) ALDH1A1SMN1; SMN2MAPTTDP1HPGD

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-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide KUREHA CORPORATION (JP) 2005-05-12 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-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide HBZ, ACMSD, HDHD5 ALDH1A1 4359/4885L3MBTL1 1563/4885SMN1; SMN2 4784/4885

“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.