SCHEMBL4476519

SCHEMBL4476519

CCOC(=O)c1ccc(C(=O)CCC(=O)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 5/20 0.62
GAA P10253 1/20 0.62
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
ESR1 P03372 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
ESR2 Q92731 1/20 0.59
CA14 Q9ULX7 1/20 0.59
LMNA P02545 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAOA P21397 1/20 0.58
ALDH1A1 P00352 2/20 0.56
GLA P06280 1/20 0.56

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
Ethyl Benzoate SCHEMBL11244230 0.91 LMNA (0.68) NPC1RAB9ASMN1; SMN2GAAMEN1
Ethyl Benzoate SCHEMBL10894118 0.89 LMNA (0.66) NPC1RAB9ASMN1; SMN2GAAMEN1
Ethyl Benzoate SCHEMBL25388294 0.89 LMNA (0.70) NPC1RAB9ASMN1; SMN2GAAMEN1
Ethyl Benzoate SCHEMBL2762273 0.89 LMNA (0.70) NPC1RAB9ASMN1; SMN2GAAMEN1
Ethyl Benzoate SCHEMBL55674 0.89 LMNA (0.70) NPC1RAB9ASMN1; SMN2GAAMEN1
Ethyl Benzoate SCHEMBL1404143 0.87 LMNA (0.68) NPC1RAB9ASMN1; SMN2GAAMEN1
Ethyl Benzoate SCHEMBL28365249 0.87 LMNA (0.68) NPC1RAB9ASMN1; SMN2GAAMEN1
Ethyl Benzoate SCHEMBL9345283 0.87 LMNA (0.68) NPC1RAB9ASMN1; SMN2GAAMEN1
Ethyl Benzoate SCHEMBL30886688 0.87 LMNA (0.68) NPC1RAB9ASMN1; SMN2GAAMEN1
Ethyl Benzoate SCHEMBL29554608 0.87 LMNA (0.68) NPC1RAB9ASMN1; SMN2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
EP-1848692-A1 AZOLYLACYLGUANIDINES AS ß-SECRETASE INHIBITORS Wyeth (US) 2007-10-31 EP disclosed
WO-2006088711-A1 AZOLYLACYLGUANIDINES AS β-SECRETASE INHIBITORS WYETH (US) 2006-08-24 WO disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 US disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 US disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 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 (2 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-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS BACE1, BACE2, APP NPC1 267/4885RAB9A 1611/4885SMN1; SMN2 2907/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP NPC1 267/4885RAB9A 1611/4885SMN1; SMN2 2907/4885

“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.