SCHEMBL13445453

SCHEMBL13445453

CCOC(=O)COC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.55
GAA P10253 2/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ESR1 P03372 1/20 0.52
CA7 P43166 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
Ethyl Benzoate SCHEMBL2762273 0.86 LMNA (0.70) NPC1RAB9ALMNASMN1; SMN2GAA
Ethyl Benzoate SCHEMBL55674 0.86 LMNA (0.70) NPC1RAB9ALMNASMN1; SMN2GAA
Ethyl Benzoate SCHEMBL25388294 0.86 LMNA (0.70) NPC1RAB9ALMNASMN1; SMN2GAA
Ethyl Benzoate SCHEMBL28871046 0.84 LMNA (0.68) NPC1RAB9ALMNASMN1; SMN2GAA
Ethyl Benzoate SCHEMBL595705 0.84 LMNA (0.68) NPC1RAB9ALMNASMN1; SMN2GAA
Ethyl Benzoate SCHEMBL29554608 0.84 LMNA (0.68) NPC1RAB9ALMNASMN1; SMN2GAA
Ethyl Benzoate SCHEMBL30886688 0.84 LMNA (0.68) NPC1RAB9ALMNASMN1; SMN2GAA
Ethyl Benzoate SCHEMBL10340677 0.84 LMNA (0.68) NPC1RAB9ALMNASMN1; SMN2GAA
Ethyl Benzoate SCHEMBL9345283 0.84 LMNA (0.68) NPC1RAB9ALMNASMN1; SMN2GAA
Ethyl Benzoate SCHEMBL1404143 0.84 LMNA (0.68) NPC1RAB9ALMNASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674943-B2 Solid, hydrocarbon-insoluble, catalyst component containing magnesium, titanium, and halogen, and further contains an internal electron donor which does not contain a phthalate derivative, for example, ethyl (phenylacetoxy)acetate; stereospecific polymerization; highly crystalline propylene polymers INEOS USA LLC (US) 2010-03-09 US disclosed
US-7491781-B2 Propylene polymer catalyst donor component INEOS USA LLC (US) 2009-02-17 US disclosed
US-20080214881-A1 Propylene polymer catalyst donor component INEOS USA LLC 2008-09-04 US disclosed
US-20080207972-A1 Propylene polymer catalyst donor component INEOS USA LLC 2008-08-28 US disclosed
US-20080194782-A1 Propylene polymer catalyst donor component INEOS USA LLC 2008-08-14 US disclosed
US-20070179047-A1 Propylene polymer catalyst donor component INNOVENE USA (US) 2007-08-02 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 (3 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-20080214881-A1 Propylene polymer catalyst donor component RAD52, NR2C2, PGR NPC1 3789/4885RAB9A 4649/4885LMNA 4627/4885
US-20080207972-A1 Propylene polymer catalyst donor component RAD52, NR2C2, PGR NPC1 3789/4885RAB9A 4649/4885LMNA 4627/4885
US-20080194782-A1 Propylene polymer catalyst donor component RAD52, NR2C2, PGR NPC1 3789/4885RAB9A 4649/4885LMNA 4627/4885

“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.