SCHEMBL811973

SCHEMBL811973

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PTGS2 P35354 2/20 0.44
CNR2 P34972 1/20 0.44
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
ACLY P53396 1/20 0.40
SHMT1 P34896 1/20 0.39
SHMT2 P34897 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL812231 0.84 ESR2 (0.49) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL13527344 0.83 ALDH1A1 (0.54) KDM4EPTGS2CNR2AKR1C3ALDH1A1
SCHEMBL812302 0.83 EGLN1 (0.41) KDM4EPTGS2CNR2AKR1C3ALDH1A1
SCHEMBL14089366 0.82 KDM4E (0.44) KDM4EPTGS2CNR2AKR1C3ALDH1A1
SCHEMBL812155 0.82 SHMT1 (0.39) KDM4EPTGS2ALDH1A1MEN1KMT2A
SCHEMBL812156 0.82 PTGDR2 (0.47) KDM4EPTGS2AKR1C3ALDH1A1MAPT
SCHEMBL491508 0.81 HSP90AB1 (0.51) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL5535142 0.80 ACLY (0.47) KDM4EAKR1C3ALDH1A1MAPTEGLN1
SCHEMBL13359382 0.78 PTGS2 (0.53) PTGS2CNR2ALDH1A1MEN1GAA
SCHEMBL19068062 0.78 MAPT (0.58) CNR2ALDH1A1MAPTMEN1GAA

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 KDM4E 81/4885PTGS2 1388/4885CNR2 368/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 KDM4E 81/4885PTGS2 1388/4885CNR2 368/4885

“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.