SCHEMBL3346009

SCHEMBL3346009

COC(=O)C(=O)c1ccccc1CN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 4/20 0.52
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
ADAM17 P78536 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CBLB Q13191 3/20 0.45
PDE10A Q9Y233 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL14051401 0.87 CYP2A13 (0.50) CYP2A13HCRTR1HCRTR2MMP1MMP9
SCHEMBL5216465 0.86 HCRTR1 (0.60) CYP2A13HCRTR1HCRTR2MMP1MMP9
SCHEMBL3310955 0.86 MEN1 (0.57) ALDH1A1
SCHEMBL13331431 0.84 HIF1A (0.50) CYP2A13HCRTR1HCRTR2MMP1MMP9
SCHEMBL3313809 0.84 HIF1A (0.50) CYP2A13HCRTR1HCRTR2MMP1MMP9
SCHEMBL4848385 0.81 CYP2A13 (0.59) CYP2A13HCRTR1HCRTR2SMN1; SMN2NPC1
SCHEMBL7526646 0.81 CYP2A13 (0.58) CYP2A13SMN1; SMN2NPC1RAB9ACBLB
SCHEMBL30640558 0.80 CYP2A13 (0.57) CYP2A13SMN1; SMN2ALDH1A1CYP2C9ALOX15
SCHEMBL230275 0.80 CYP2A13 (0.57) CYP2A13SMN1; SMN2ALDH1A1CYP2C9ALOX15
SCHEMBL10533979 0.79 CYP2A13 (0.59) CYP2A13SMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113778-A1 PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2010-05-06 US disclosed
US-20100113778-A1 PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2010-05-06 US disclosed
WO-2008125592-A1 IMPROVED PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2008-10-23 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-20100113778-A1 PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION CYP4F12, GRHPR, CYP4F2 CYP2A13 113/4885HCRTR1 4243/4885HCRTR2 2883/4885

“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.