SCHEMBL4126643

SCHEMBL4126643

COc1ccc(O)c(C(=O)C2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
CPS1 P31327 1/20 0.50
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
MAPT P10636 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 4/20 0.49
HSD17B10 Q99714 4/20 0.49
TP53 P04637 2/20 0.49
ALOX12 P18054 2/20 0.49
CYP3A4 P08684 2/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALOX15 P16050 3/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47

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
SCHEMBL4115692 0.92 KDM2B (0.47) NPC1RAB9ACPS1KDM4EALDH1A1
SCHEMBL11214722 0.91 ALDH1A1 (0.49) NPC1RAB9ACPS1KDM4EALDH1A1
Bromide SCHEMBL10640715 0.90 ALDH1A1 (0.48) NPC1RAB9ACPS1KDM4EALDH1A1
SCHEMBL5997708 0.87 NPC1 (0.47) NPC1RAB9ACPS1KDM4EALDH1A1
SCHEMBL10638070 0.86 CPS1 (0.57) CPS1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4129937 0.86 MAPT (0.55) RAB9ACPS1KDM4EALDH1A1HPGD
SCHEMBL4133619 0.83 MAPT (0.66) NPC1RAB9ACPS1KDM4EALDH1A1
SCHEMBL4841620 0.82 CPS1 (0.52) NPC1RAB9ACPS1KDM4EALDH1A1
SCHEMBL17682929 0.82 CPS1 (0.59) NPC1RAB9ACPS1KDM4EALDH1A1
SCHEMBL4115726 0.80 CA12 (0.55) ALDH1A1GAA

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 NPC1 3841/4885RAB9A 2004/4885CPS1 1929/4885

“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.