SCHEMBL4121937

SCHEMBL4121937

COc1ccc(O)c(CC(C)C=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.50
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
GAA P10253 3/20 0.43
HTR2A P28223 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL3639794 0.88 POLB (0.51) ERN1TRIM24TYRTRIM33GAA
SCHEMBL16013328 0.82 GABRA1 (0.59) ERN1MTNR1AMTNR1BCA1CA2
SCHEMBL4633299 0.80 HTR2A (0.47) ERN1MTNR1AMTNR1BCA1CA2
SCHEMBL29066447 0.79 HTR2A (0.46) ERN1MTNR1AMTNR1BCA1CA2
SCHEMBL874158 0.77 ERN1 (0.56) ERN1TRIM24TYRTRIM33MTNR1A
SCHEMBL4121484 0.76 KMT2A (0.36) ERN1KDM4EKMT2AMEN1MAPT
SCHEMBL805304 0.76 MTNR1A (0.55) ERN1TRIM24TYRTRIM33MTNR1A
SCHEMBL8959159 0.74 GAA (0.50) ERN1MTNR1AMTNR1BCA1CA2
SCHEMBL51653 0.74 GAA (0.53) ERN1MTNR1AMTNR1BCA1CA2
SCHEMBL9900714 0.73 SLC6A4 (0.58) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 US disclosed
EP-1883622-A1 SUBSTITUTED ARYL OXIMES Bayer CropScience Aktiengesellschaft (DE) 2008-02-06 EP disclosed
WO-2007090434-A1 SUBSTITUTED ARYL OXIMES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-08-16 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-20090221596-A1 Substtituted aryl oximes CYP1A1, PRDX1, CYP1A2 ERN1 961/4885TRIM24 3771/4885TYR 43/4885

“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.