SCHEMBL812302

SCHEMBL812302

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.41
SHMT1 P34896 1/20 0.38
SHMT2 P34897 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.34
ACLY P53396 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARA Q07869 1/20 0.34
CNR2 P34972 1/20 0.34
PTGS2 P35354 1/20 0.34
AKR1C3 P42330 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
SCHEMBL812154 0.86 TSHR (0.43) SHMT1SHMT2KDM4EALDH1A1LMNA
SCHEMBL811973 0.83 KDM4E (0.47) EGLN1SHMT1SHMT2KDM4EALDH1A1
SCHEMBL8090802 0.82 MAPT (0.36) KDM4ELMNAMAPTL3MBTL1CNR2
SCHEMBL812230 0.77 SHMT1 (0.37) EGLN1SHMT1SHMT2KDM4EALDH1A1
SCHEMBL8090599 0.74 ALDH1A1 (0.49) KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL13710250 0.74 PTPN11 (0.44) SHMT1SHMT2KDM4EALDH1A1LMNA
SCHEMBL812308 0.72 SHMT1 (0.42) SHMT1SHMT2PPARA
SCHEMBL812155 0.72 SHMT1 (0.39) SHMT1SHMT2KDM4EALDH1A1L3MBTL1
SCHEMBL812156 0.72 PTGDR2 (0.47) SHMT1SHMT2KDM4EALDH1A1LMNA
SCHEMBL812147 0.71 SHMT1 (0.41) EGLN1SHMT1SHMT2ALDH1A1LMNA

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 10 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-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 EGLN1 1625/4885SHMT1 3304/4885SHMT2 2603/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 EGLN1 1625/4885SHMT1 3304/4885SHMT2 2603/4885

“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.