SCHEMBL1821701

SCHEMBL1821701

COc1cc(C)cc(Cl)c1C(=C=O)C(=O)Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ACHE P22303 1/20 0.35
MAPK1 P28482 2/20 0.35
CYP3A4 P08684 1/20 0.34
ERN1 O75460 1/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7479979 0.85 HTT (0.34) ALDH1A1LMNAPOLBKMT2AMAPT
SCHEMBL6838898 0.81 HTT (0.38) ALDH1A1SMN1; SMN2MAPK1LMNAPOLB
SCHEMBL1833765 0.74 HPGD (0.36) ALDH1A1ERN1LMNAGAAMEN1
SCHEMBL7811949 0.73 TAS1R3 (0.35) ALDH1A1SMN1; SMN2MAPK1LMNANPSR1
SCHEMBL11516098 0.73 ACHE (0.48) ALDH1A1SMN1; SMN2ACHEMAPK1CYP3A4
SCHEMBL6308979 0.71 KMT2A (0.38) ALDH1A1SMN1; SMN2MAPK1CYP3A4LMNA
SCHEMBL16485238 0.69 KDM4E (0.32) KDM4EL3MBTL1
SCHEMBL6838601 0.68 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2MAPK1POLBTAS1R3
SCHEMBL812041 0.68 AKR1C2 (0.44) SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL12248741 0.67 CYP3A4 (0.60) ALDH1A1SMN1; SMN2ACHEMAPK1CYP3A4

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 14 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
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 4169/4885ACHE 288/4885
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E ALDH1A1 2441/4885SMN1; SMN2 4169/4885ACHE 288/4885
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives CYP4X1, KDM4E, KCNE1 ALDH1A1 2129/4885SMN1; SMN2 4082/4885ACHE 278/4885

“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.