SCHEMBL16021999

SCHEMBL16021999

CCCCn1c(=O)c(C(=O)O)cn(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
ADORA2A P29274 4/20 0.42
ADORA2B P29275 2/20 0.41
CNR2 P34972 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 2/20 0.40
TNF P01375 1/20 0.38
RGS4 P49798 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
SCHEMBL16022002 0.82 BAZ2B (0.49) L3MBTL1TNF
SCHEMBL17394620 0.75 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11637223 0.74 CNR2 (0.45) CNR2TDP1L3MBTL1CNR1
SCHEMBL11720948 0.74 MEN1 (0.43) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL16022029 0.74 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11720340 0.73 LMNA (0.40) ADORA2BL3MBTL1
SCHEMBL16022015 0.73 CNR2 (0.38) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL16022004 0.73 POLB (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL215944 0.73 CNR2 (0.63) CNR2TDP1L3MBTL1CNR1
SCHEMBL2357119 0.72 BRD4 (0.37) L3MBTL1

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-20160009693-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-01-14 US disclosed
US-20160009693-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-01-14 US disclosed
WO-2014135654-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2014-09-12 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-20160009693-A1 HERBICIDAL COMPOUNDS DDT, HAX1, CYP4X1 PDE4A 634/4885PDE4B 389/4885PDE4C 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.