SCHEMBL3737569

SCHEMBL3737569

C=CCOC(=O)C(CC)(OC(C)=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM4 P08173 2/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM5 P08912 1/20 0.35

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
SCHEMBL6472435 0.79 ALDH1A1 (0.50) CYP3A4HTTALDH1A1TSHRHSD17B10
SCHEMBL11778520 0.76 CYP3A4 (0.42) CYP3A4HTTALDH1A1TSHRHSD17B10
SCHEMBL1502420 0.75 CYP3A4 (0.50) CYP3A4HTTALDH1A1TSHRHSD17B10
SCHEMBL751119 0.75 CYP3A4 (0.53) CYP3A4HTTALDH1A1TSHRHSD17B10
SCHEMBL28003868 0.75 CYP3A4 (0.53) CYP3A4HTTALDH1A1TSHRHSD17B10
SCHEMBL5497977 0.74 CYP3A4 (0.43) CYP3A4HTTALDH1A1TSHRHSD17B10
SCHEMBL9879540 0.73 CYP3A4 (0.45) CYP3A4HTTALDH1A1TSHRHSD17B10
SCHEMBL11783872 0.73 TSHR (0.47) CYP3A4HTTALDH1A1TSHRHSD17B10
SCHEMBL10334775 0.73 CYP3A4 (0.47) CYP3A4HTTALDH1A1TSHRHSD17B10
SCHEMBL11498308 0.73 CYP3A4 (0.47) CYP3A4HTTALDH1A1TSHRHSD17B10

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 8 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
EP-1863855-A2 PROPYLENE POLYMER CATALYST DONOR COMPONENT INEOS USA LLC (US) 2007-12-12 EP disclosed
US-20070179047-A1 Propylene polymer catalyst donor component INNOVENE USA (US) 2007-08-02 US disclosed
WO-2006096621-A2 PROPYLENE POLYMER CATALYST DONOR COMPONENT INNOVENE USA LLC (US) 2006-09-14 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 (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 CYP3A4 1427/4885HTT 1311/4885ALDH1A1 4642/4885
US-20080207972-A1 Propylene polymer catalyst donor component RAD52, NR2C2, PGR CYP3A4 1427/4885HTT 1311/4885ALDH1A1 4642/4885
US-20080194782-A1 Propylene polymer catalyst donor component RAD52, NR2C2, PGR CYP3A4 1427/4885HTT 1311/4885ALDH1A1 4642/4885

“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.