SCHEMBL811828

SCHEMBL811828

CC1(C)NC(=O)C(c2ccc(-c3cccc(Cl)c3)cc2Cl)=C1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.45
TDP2 O95551 2/20 0.45
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
GSK3B P49841 3/20 0.42
GSK3A P49840 2/20 0.42
ESR2 Q92731 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
BRDT Q58F21 1/20 0.40
ALOX5 P09917 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
PTGS2 P35354 1/20 0.38

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
SCHEMBL812085 0.79 PGR (0.38) PGRTDP2PARP10PARP11GSK3B
SCHEMBL14609665 0.77 GSK3B (0.43) GSK3BACACBACACA
SCHEMBL11941312 0.76 ACACB (0.44) ACACBACACA
SCHEMBL11941316 0.74 ACACB (0.65) PGRTDP2GSK3BGSK3AALOX5
SCHEMBL11941313 0.73 PTGS2 (0.43) TDP2GSK3BPTGS2
SCHEMBL14432147 0.72 ACACB (0.37) PGRACACBACACA
SCHEMBL11941307 0.70 PTGS2 (0.46) GSK3BPTGS2
SCHEMBL11941299 0.70 L3MBTL1 (0.42) PGRPARP10PARP11PTGS2
SCHEMBL9486784 0.69 ALOX5 (0.53) PGRTDP2PARP10PARP11ESR2
SCHEMBL811925 0.68 PTGS2 (0.47) PGRTDP2ALOX5ACACBACACA

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.