SCHEMBL4132597

SCHEMBL4132597

COc1c(Cl)cc(O)cc1CC(C)C=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.37
TPMT P51580 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ERN1 O75460 2/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
ELANE P08246 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
SCHEMBL4120606 0.81 ALOX15 (0.36) CYP1A2CYP2C19CYP2C9CYP3A4SMN1; SMN2
SCHEMBL4619369 0.80 KMT2A (0.41) CYP1A2CYP2D6CYP2C19KMT2ATPMT
SCHEMBL4121484 0.73 KMT2A (0.36) KMT2AKDM4EMAPTMEN1ERN1
SCHEMBL8720641 0.71 TDP1 (0.56) KMT2ATPMTKDM4EALDH1A1GAA
SCHEMBL3639794 0.70 POLB (0.51) KMT2AKDM4EALDH1A1GAACYP3A4
SCHEMBL28610832 0.69 ERN1 (0.46) TPMTKDM4EALDH1A1GAATDP1
SCHEMBL4132595 0.69 TPMT (0.42) CYP1A2CYP2D6CYP2C19KMT2ATPMT
SCHEMBL4121937 0.67 ERN1 (0.50) KMT2AKDM4EALDH1A1GAATDP1
SCHEMBL1830214 0.65 TYR (0.50) KMT2ATDP1CYP3A4MAPTMEN1
SCHEMBL2388019 0.64 CYP3A4 (0.71) KMT2ATPMTALDH1A1TDP1CYP3A4

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 CYP1A2 3/4885CYP2D6 63/4885CYP2C19 265/4885

“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.