SCHEMBL1814307

SCHEMBL1814307

COC(=O)C(C(=O)OC)c1c(Cl)cc(C)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.38
ACHE P22303 1/20 0.38
CNR2 P34972 1/20 0.38
STAT3 P40763 1/20 0.37
LMNA P02545 1/20 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
SCHEMBL7486568 0.88 MAPK1 (0.43) ALDH1A1SMN1; SMN2TAS1R3TAS1R1MAPK1
SCHEMBL16554097 0.85 ERN1 (0.38) ALDH1A1TAS1R3TAS1R1GAAMAPK1
SCHEMBL5481803 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TAS1R3TAS1R1GAA
SCHEMBL6834732 0.83 HTT (0.42) ALDH1A1TAS1R3TAS1R1KDM4EMAPK1
SCHEMBL16554306 0.77 ACACB (0.38) ALDH1A1SMN1; SMN2TAS1R3TAS1R1GAA
SCHEMBL1537457 0.75 XDH (0.41) ALDH1A1SMN1; SMN2TAS1R3TAS1R1KDM4E
SCHEMBL8794058 0.74 TAS1R3 (0.39) ALDH1A1SMN1; SMN2TAS1R3TAS1R1LMNA
SCHEMBL12269966 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TAS1R3TAS1R1GAA
SCHEMBL1152535 0.73 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TAS1R3TAS1R1GAA
SCHEMBL16554601 0.71 ERN1 (0.37) ALDH1A1GAAMAPK1CNR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
EP-1732930-A2 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES Bayer CropScience Aktiengesellschaft (DE) 2006-12-20 EP disclosed
WO-2005092897-A2 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES BAYER CROPSCIENCE AG (DE) 2005-10-06 WO 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 (3 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-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E ALDH1A1 2441/4885SMN1; SMN2 4169/4885TAS1R3 4459/4885
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E ALDH1A1 2441/4885SMN1; SMN2 4169/4885TAS1R3 4459/4885
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives CYP4X1, KDM4E, KCNE1 ALDH1A1 2129/4885SMN1; SMN2 4082/4885TAS1R3 4495/4885

“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.