SCHEMBL812012

SCHEMBL812012

CCOC(=O)C(C)(C)OC(=O)Cc1c(C)cc(-c2ccc(Cl)cc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
PPARA Q07869 2/20 0.51
ABCB11 O95342 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR2A P28223 1/20 0.51
PMP22 Q01453 1/20 0.51
FBP1 P09467 1/20 0.41
OPRK1 P41145 1/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 2/20 0.39
CNR2 P34972 2/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALPL P05186 1/20 0.38
ALDH1A1 P00352 5/20 0.37

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
SCHEMBL811805 0.82 PPARA (0.50) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL3173395 0.79 PPARA (0.38) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL823049 0.79 OXTR (0.38) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL811973 0.77 KDM4E (0.47) KDM4EL3MBTL1CNR2MAPTMEN1
SCHEMBL7132418 0.76 ABCB11 (0.51) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL2676765 0.76 ABCB11 (0.41) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL2430594 0.75 PPARA (0.35) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL4429919 0.73 PPARA (0.91) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL3771725 0.73 SMN1; SMN2 (0.42) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL14691785 0.73 TSHR (0.45) TSHRPPARAABCB11CYP1A2CYP3A4

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-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-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 TSHR 1322/4885PPARA 429/4885ABCB11 2109/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 TSHR 1322/4885PPARA 429/4885ABCB11 2109/4885

“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.