SCHEMBL812085

SCHEMBL812085

CC(C)(C)C(=O)OC1=C(c2ccc(-c3cccc(Cl)c3)cc2Cl)C(=O)NC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.38
TDP2 O95551 2/20 0.38
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GSK3A P49840 3/20 0.34
GSK3B P49841 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
PDK2 Q15119 1/20 0.33
PTGS2 P35354 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
BRDT Q58F21 1/20 0.33

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
SCHEMBL14609666 0.82 GSK3B (0.37) GSK3BL3MBTL1PDK2
SCHEMBL811828 0.79 PGR (0.45) PGRTDP2PARP10PARP11MMP2
SCHEMBL14432144 0.77 L3MBTL1 (0.33) L3MBTL1
SCHEMBL12122506 0.74 PTGS2 (0.38) PGRL3MBTL1PTGS2
SCHEMBL13673311 0.72 TGM2 (0.40) GSK3AGSK3BL3MBTL1
SCHEMBL14587426 0.71 PGR (0.35) PGRTDP2MMP2MMP9MMP8
SCHEMBL17955205 0.70 NR1H2 (0.41) L3MBTL1PDK2ADORA2A
SCHEMBL12658143 0.68 MAP3K14 (0.37) GSK3BL3MBTL1CCNA2CDK2CCNA1
SCHEMBL16153990 0.68 NR1H3 (0.42) TDP2L3MBTL1
SCHEMBL10230209 0.67 CNR2 (0.32) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 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-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 PGR 1538/4885TDP2 2132/4885PARP10 3967/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 PGR 1538/4885TDP2 2132/4885PARP10 3967/4885

“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.