SCHEMBL4505232

SCHEMBL4505232

COc1c(Cl)cc(OCC=C(Cl)Cl)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HTT P42858 1/20 0.39
ERN1 O75460 6/20 0.39
TUBB1 Q9H4B7 1/20 0.36
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
ORAI1 Q96D31 1/20 0.33
GALK1 P51570 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 3/20 0.33
TRIM24 O15164 1/20 0.33
TYR P14679 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL13614127 0.87 HTT (0.42) ALDH1A1HTTKDM4EGAAGALK1
SCHEMBL4511160 0.84 ALDH1A1 (0.44) ALDH1A1HTTKDM4EGAARAB9A
SCHEMBL4511158 0.84 ALDH1A1 (0.44) ALDH1A1HTTKDM4EGAARAB9A
SCHEMBL4621206 0.82 HTT (0.38) ALDH1A1HTTERN1TUBB1KDM4E
SCHEMBL28626686 0.80 TUBB1 (0.40) ALDH1A1ERN1TUBB1KDM4EGAA
SCHEMBL4505005 0.80 HTT (0.41) ALDH1A1HTTKDM4EGAAGALK1
SCHEMBL4621204 0.80 HTT (0.44) ALDH1A1HTTKDM4EGAAGALK1
SCHEMBL4502807 0.79 HTT (0.37) ALDH1A1HTTKDM4EGAAGALK1
SCHEMBL8407690 0.78 HTT (0.41) HTT
SCHEMBL4518577 0.78 HTT (0.40) ALDH1A1HTTKDM4EGAAGALK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042957-A1 Substituted Oxyarenes BAYER CROPSCIENCE AG (DE) 2009-02-12 US disclosed
EP-1831145-A1 SUBSTITUTED OXYARENES Bayer CropScience Aktiengesellschaft (DE) 2007-09-12 EP disclosed
WO-2006069685-A1 SUBSTITUTED OXYARENES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-07-06 WO disclosed
EP-1638962-A2 SUBSTITUTED OXYARENES UND DEREN VERWENDUNG ZUR BEKÄMPFUNG VON SCHÄDLINGEN Bayer CropScience AG (DE) 2006-03-29 EP disclosed
WO-2004099197-A2 SUBSTITUTED OXYARENES, AND USE THEREOF FOR CONTROLLING PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-11-18 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 (1 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-20090042957-A1 Substituted Oxyarenes CYP1A1, OXER1, CYP1A2 ALDH1A1 544/4885HTT 3097/4885ERN1 539/4885

“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.