SCHEMBL811909

SCHEMBL811909

CCOC(=O)OC1=C(c2c(C)cc(-c3ccc(Cl)cc3)cc2C)C(=O)NC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.38
ACACA Q13085 4/20 0.38
ALPL P05186 1/20 0.37
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 4/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
CACNA1D Q01668 1/20 0.34
ALOX5 P09917 2/20 0.34
PTGES O14684 1/20 0.34
HPGD P15428 1/20 0.34
FPR1 P21462 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCC1 P33527 1/20 0.34

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
SCHEMBL4546201 0.81 ACACB (0.39) ACACBACACAALPLRAB9ATP53
SCHEMBL4546188 0.81 ACACB (0.33) ACACBACACAALPLRAB9ATP53
SCHEMBL4549944 0.81 ACACB (0.35) ACACBACACAALPLRAB9ATP53
SCHEMBL2759798 0.81 ACACB (0.42) ACACBACACARAB9AKDM4ELMNA
SCHEMBL812048 0.79 LMNA (0.38) ACACBACACAALPLRAB9ATP53
SCHEMBL3674897 0.77 CYP1A2 (0.37) KDM4EKMT2A
SCHEMBL12658337 0.76 CNR2 (0.36) KDM4ELMNAALDH1A1POLBGAA
SCHEMBL811968 0.75 LMNA (0.47) ALPLLMNAKMT2AMAPTMEN1
SCHEMBL11028106 0.75 ALOX5 (0.40) RAB9AKDM4ELMNAMAPTALDH1A1
SCHEMBL811965 0.75 LMNA (0.37) ALPLRAB9AKDM4ELMNAKMT2A

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 ACACB 971/4885ACACA 1353/4885ALPL 3069/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 ACACB 971/4885ACACA 1353/4885ALPL 3069/4885

“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.