SCHEMBL2795232

SCHEMBL2795232

CCC(=O)CC(=O)NCc1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
GAA P10253 1/20 0.57
ALDH1A1 P00352 2/20 0.56
PKM P14618 1/20 0.56
RAB9A P51151 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
POLB P06746 1/20 0.55
CNR1 P21554 2/20 0.54
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
TSHR P16473 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CNR2 P34972 1/20 0.53
HPGD P15428 1/20 0.52

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
SCHEMBL933858 0.88 NPC1 (0.67) NPC1GAAALDH1A1PKMRAB9A
SCHEMBL12470513 0.86 NPC1 (0.60) NPC1GAAALDH1A1PKMRAB9A
SCHEMBL5250976 0.83 NPC1 (0.69) NPC1GAAALDH1A1PKMRAB9A
SCHEMBL5902331 0.83 NPC1 (0.65) NPC1GAAALDH1A1PKMRAB9A
SCHEMBL2797868 0.83 NPC1 (0.65) NPC1GAAALDH1A1PKMRAB9A
SCHEMBL15417367 0.83 CNR1 (0.71) ALDH1A1CNR1CNR2
SCHEMBL12127405 0.82 CNR1 (0.67) NPC1GAAALDH1A1PKMCNR1
SCHEMBL7529534 0.80 NPC1 (0.65) NPC1GAAALDH1A1PKMRAB9A
SCHEMBL16215809 0.80 NPC1 (0.65) NPC1GAAALDH1A1PKMRAB9A
SCHEMBL8288439 0.80 NPC1 (0.65) NPC1GAAALDH1A1PKMRAB9A

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-20100168175-A1 ATPENINS BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
WO-2010069495-A1 ATPENINS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 WO 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-20100168175-A1 ATPENINS ATP5ME, ATP5MK, ATP5F1B NPC1 3373/4885GAA 1667/4885ALDH1A1 3630/4885

“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.