SCHEMBL4119971

SCHEMBL4119971

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
CYP3A4 P08684 3/20 0.49
MAPK1 P28482 1/20 0.49
TPMT P51580 1/20 0.46
HTT P42858 2/20 0.43
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
ABCB11 O95342 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL24516637 0.84 GALK1 (0.50) ALDH1A1HPGDTPMTHTTKDM4E
SCHEMBL8427153 0.83 KDM4E (0.51) ALDH1A1HPGDMAPK1TPMTHTT
SCHEMBL4132595 0.81 TPMT (0.42) ALDH1A1HPGDCYP3A4MAPK1TPMT
SCHEMBL4487009 0.80 GAA (0.45) ALDH1A1HPGDTPMTHTTKDM4E
SCHEMBL1748528 0.80 ALDH1A1 (0.41) ALDH1A1HPGDCYP3A4MAPK1TPMT
SCHEMBL8720641 0.80 TDP1 (0.56) ALDH1A1HPGDCYP3A4TPMTHTT
SCHEMBL4125864 0.78 TPMT (0.41) ALDH1A1HPGDCYP3A4TPMTHTT
SCHEMBL6798411 0.78 TPMT (0.46) ALDH1A1HPGDCYP3A4MAPK1TPMT
SCHEMBL4127393 0.76 AKR1C2 (0.45) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL11802804 0.75 GAA (0.47) ALDH1A1CYP3A4MAPK1HTTGAA

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-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 US disclosed
US-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 US disclosed
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 ALDH1A1 319/4885HPGD 2666/4885CYP3A4 84/4885

“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.