SCHEMBL22992127

SCHEMBL22992127

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)c4ccon4)CC3)CC2=O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.36
CNR2 P34972 1/20 0.35
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
GRM2 Q14416 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
DGAT1 O75907 1/20 0.32
CASP3 P42574 1/20 0.31
KDM1A O60341 1/20 0.30
EPHX2 P34913 1/20 0.30
USP2 O75604 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL24120323 0.91 CHRNA4 (0.37) CHRNA4CNR2TLR9TLR8TLR7
SCHEMBL22908432 0.85 ACACA (0.33) CHRNA4CNR2KMT2ACHRM2CHRM3
SCHEMBL21343898 0.84 NAMPT (0.35) KMT2A
SCHEMBL22992053 0.84 CHRNA4 (0.36) CHRNA4USP2MAPK1SMN1; SMN2
SCHEMBL21344636 0.83 L3MBTL1 (0.44) CHRNA4EPHX2MAPK1SMN1; SMN2
SCHEMBL21344729 0.83 ACACA (0.33) KDM1A
SCHEMBL21343717 0.83 EPHX2 (0.38) EPHX2USP2HIF1A
SCHEMBL22992064 0.83 CYP3A4 (0.39) KDM1AUSP2MAPK1SMN1; SMN2HIF1A
SCHEMBL22992155 0.83 CYP3A4 (0.44) KMT2AUSP2MAPK1SMN1; SMN2HIF1A
SCHEMBL22992214 0.83 CCR8 (0.42) CNR2USP2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
US-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
EP-3762378-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-05-18 EP disclosed
US-20210047274-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 US 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 (2 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-20210047274-A1 HERBICIDAL COMPOUNDS DDT, CBR3, GLRX3 CHRNA4 3404/4885CNR2 1256/4885TLR9 4564/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 CHRNA4 3404/4885CNR2 1256/4885TLR9 4564/4885

“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.