SCHEMBL812147

SCHEMBL812147

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 1/20 0.41
SHMT2 P34897 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
LPAR1 Q92633 1/20 0.37
PLA2G2A P14555 1/20 0.36
PTGS2 P35354 6/20 0.35
MAPT P10636 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL812153 0.79 ANO1 (0.43) SHMT1SHMT2L3MBTL1PLA2G2APTGS2
SCHEMBL13359382 0.77 PTGS2 (0.53) L3MBTL1PTGS2ALDH1A1LMNA
SCHEMBL2676765 0.76 ABCB11 (0.41) SHMT1SHMT2L3MBTL1PLA2G2APTGS2
SCHEMBL811973 0.76 KDM4E (0.47) SHMT1SHMT2L3MBTL1PTGS2MAPT
SCHEMBL812230 0.75 SHMT1 (0.37) SHMT1SHMT2L3MBTL1PLA2G2APPARA
SCHEMBL13527323 0.75 TAS1R3 (0.35) L3MBTL1LPAR1MAPTLMNA
SCHEMBL6473687 0.73 LPAR1 (0.42) L3MBTL1LPAR1PLA2G2AALDH1A1LMNA
SCHEMBL8862949 0.72 KDM4E (0.44) L3MBTL1LPAR1MAPTALDH1A1
SCHEMBL8744778 0.72 TAS1R3 (0.46) L3MBTL1LPAR1MAPTALDH1A1LMNA
SCHEMBL812302 0.71 EGLN1 (0.41) SHMT1SHMT2L3MBTL1PTGS2MAPT

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 SHMT1 3304/4885SHMT2 2603/4885L3MBTL1 1384/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 SHMT1 3304/4885SHMT2 2603/4885L3MBTL1 1384/4885

“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.