SCHEMBL1814554

SCHEMBL1814554

COc1cc(C)cc(Cl)c1CC(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ACHE P22303 1/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PDE4D Q08499 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ERN1 O75460 1/20 0.37
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1424023 0.87 PTGS1 (0.46) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL24841250 0.87 CYP3A4 (0.46) ALDH1A1SMN1; SMN2ACHEMAPTHPGD
SCHEMBL1814206 0.85 LMNA (0.45) ALDH1A1SMN1; SMN2MAPTHPGDMAPK1
SCHEMBL3001741 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2ACHEHPGDL3MBTL1
SCHEMBL6841350 0.79 TSHR (0.45) ALDH1A1MAPTHPGDL3MBTL1MEN1
SCHEMBL6475041 0.75 AKR1B1 (0.47) ALDH1A1SMN1; SMN2MAPTMAPK1MEN1
SCHEMBL1813981 0.74 CNR2 (0.43) ALDH1A1SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL12553293 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ACHEMAPTNPSR1
SCHEMBL12653057 0.72 TAAR1 (0.54) ALDH1A1ACHEMAPTHPGDMAPK1
SCHEMBL12269963 0.72 CNR2 (0.41) ALDH1A1SMN1; SMN2MAPTHPGDNPSR1

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
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

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.