SCHEMBL6804165

SCHEMBL6804165

Cc1cc(=O)n(C)c(=O)n1CC(C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.40
PLA2G7 Q13093 1/20 0.39
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6394776 0.86 ALDH1A1 (0.67) ALDH1A1KDM4EL3MBTL1GAATDP1
SCHEMBL3875250 0.76 ALDH1A1 (0.59) ALDH1A1KDM4EL3MBTL1GAATDP1
SCHEMBL2760405 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1GAATDP1
SCHEMBL8174724 0.71 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1GAATDP1
SCHEMBL4763472 0.71 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1TDP1SMN1; SMN2
SCHEMBL260676 0.70 KDM4E (0.43) ALDH1A1KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL13847007 0.69 RAB9A (0.36) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL21886582 0.68 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1GAATDP1
SCHEMBL91340 0.68 ALDH1A1 (0.45) ALDH1A1KDM4EL3MBTL1GAATDP1
SCHEMBL13637013 0.68 RAB9A (0.36) ALDH1A1KDM4ESMN1; SMN2LMNAHTT

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-20040072746-A1 Inhibitors of monocarboxylate transport ASTRAZENECA AB (SE) 2004-04-15 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-20040072746-A1 Inhibitors of monocarboxylate transport SLC16A1, SLC16A7, SLC16A3 ALDH1A1 788/4885KDM4E 1317/4885L3MBTL1 1920/4885

“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.