SCHEMBL1153876

SCHEMBL1153876

COc1cc(Cl)cc(C)c1C1C(=O)NC2(CCCCC2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 9/20 0.41
MAP3K14 Q99558 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
CCNA1 P78396 1/20 0.33
HTT P42858 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
SCHEMBL12496896 0.89 PDE7A (0.40) PDE7AKMT2ASMN1; SMN2
SCHEMBL12496990 0.85 PDE7A (0.43) PDE7AKMT2A
SCHEMBL1812688 0.83 PDE7A (0.44) PDE7AMEN1KMT2AALDH1A1MAPK1
SCHEMBL1153528 0.81 GSK3B (0.37) MAP3K14ALDH1A1CDK4CCNA2CCND1
SCHEMBL6994973 0.81 PDE7A (0.42) PDE7AMEN1KMT2AALDH1A1MAPK1
SCHEMBL8652013 0.78 KMT2A (0.40) PDE7AKMT2ASMN1; SMN2LMNA
SCHEMBL3001186 0.78 KMT2A (0.36) PDE7AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15300237 0.77 CES1 (0.31)
SCHEMBL3176738 0.77 PDE7A (0.35) PDE7AKMT2ASMN1; SMN2
SCHEMBL8645554 0.76 KMT2A (0.38) PDE7AKMT2AALDH1A1SMN1; SMN2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606254-B1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2011-05-11 EP disclosed
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols FISCHER REINER 2011-04-21 US disclosed
US-7888285-B2 2,4,6-phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-02-15 US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 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-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols CYP4X1, KDM4E, KCNE1 PDE7A 2098/4885MAP3K14 920/4885MEN1 4847/4885
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols CYP4X1, KDM4E, PDHX PDE7A 1812/4885MAP3K14 990/4885MEN1 4855/4885

“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.