SCHEMBL12658293

SCHEMBL12658293

COc1cc(Br)cc(C)c1-c1c(O)n2n(c1=O)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
GAA P10253 4/20 0.36
ALOX15 P16050 1/20 0.36
HPGD P15428 4/20 0.35
ERN1 O75460 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IGF1R P08069 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DUSP3 P51452 1/20 0.33
GFER P55789 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
SCHEMBL12269932 0.79 KMT2A (0.39) TSHRGAAHPGDERN1KMT2A
SCHEMBL5541905 0.76 LRRK2 (0.36) TSHRGAAHPGDKMT2AMEN1
SCHEMBL13527194 0.75 KDM4E (0.32) HPGDKDM4E
SCHEMBL12658153 0.73 ALDH1A1 (0.36) TSHRGAAHPGDERN1KMT2A
SCHEMBL12362020 0.72 HTR2A (0.34) GAAHPGDKMT2AMEN1L3MBTL1
SCHEMBL13002701 0.68 ALDH1A1 (0.34) TSHRGAAHPGDKMT2AMEN1
SCHEMBL5540559 0.66 PKM (0.35) TSHRHPGDKMT2AMEN1ALDH1A1
SCHEMBL2086956 0.64 ERN1 (0.56) GAAALOX15ERN1IGF1R
SCHEMBL5542073 0.64 MAPK13 (0.36)
SCHEMBL812031 0.63 AKR1C2 (0.39) KMT2AMEN1L3MBTL1ALDH1A1

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 7 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-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-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
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 TSHR 3290/4885GAA 1055/4885ALOX15 2749/4885
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols CYP4X1, KDM4E, PDHX TSHR 3052/4885GAA 1079/4885ALOX15 2323/4885

“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.