SCHEMBL1813818

SCHEMBL1813818

COc1cc(C)cc(Cl)c1C1C(=O)NC(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR7 P34969 1/20 0.33
HTR5A P47898 1/20 0.33
MAPK1 P28482 4/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
ACHE P22303 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2B P41595 2/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 4/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6838459 0.82 PBRM1 (0.39) HTR2CHTR2AHTR2BMAPTALDH1A1
SCHEMBL1153007 0.81 MAP3K14 (0.35) HTR2CPDE3BPDE3AHTR1AHTR1D
SCHEMBL6989515 0.74 ACHE (0.41) MAPK1KMT2AGAAACHETSHR
SCHEMBL1814326 0.74 NPC1 (0.35) HTR2CPDE3BPDE3AHTR1AHTR1D
SCHEMBL15839587 0.73 KMT2A (0.34) HTR2CPDE3BPDE3AMAPK1KMT2A
SCHEMBL1812688 0.72 PDE7A (0.44) MAPK1KMT2AMAPTALDH1A1MEN1
SCHEMBL4433341 0.70 GAA (0.40) KMT2AGAACRHBPCRHR2HPGD
SCHEMBL1813846 0.69 ACHE (0.31) HTR2CHTR1AHTR1DHTR7HTR5A
SCHEMBL14405342 0.69 KMT2A (0.36) HTR2CHTR5AMAPK1KMT2AGAA
SCHEMBL5929398 0.69 GAA (0.32) HTR2CGAAHTR2AHTR2B

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 6 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-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-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 HTR2C 2657/4885PDE3B 1183/4885PDE3A 1295/4885
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E HTR2C 2657/4885PDE3B 1183/4885PDE3A 1295/4885
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives CYP4X1, KDM4E, KCNE1 HTR2C 2436/4885PDE3B 1426/4885PDE3A 1641/4885

“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.