SCHEMBL21344281

SCHEMBL21344281

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)c4nccnc4C)CC3)CC2=O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
KCNH2 Q12809 1/20 0.38
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MMP1 P03956 3/20 0.32
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
MMP13 P45452 3/20 0.32
MMP14 P50281 3/20 0.32
ADAM17 P78536 3/20 0.32
NSD2 O96028 2/20 0.30
ACACA Q13085 1/20 0.30
USP2 O75604 1/20 0.30
CYP3A4 P08684 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
SCHEMBL22992138 0.87 CHRM2 (0.40) ALDH1A1HPGDHSD17B10NSD2USP2
SCHEMBL21344268 0.86 KDM4E (0.37) KCNH2HCRTR1HCRTR2ALDH1A1NSD2
SCHEMBL29342691 0.86 DPP4 (0.39) DPP4KCNH2HCRTR1HCRTR2
SCHEMBL22992040 0.86 CYP3A4 (0.47) ALDH1A1HPGDHSD17B10USP2CYP3A4
SCHEMBL22908443 0.86 KCNH2 (0.34) DPP4KCNH2HCRTR1HCRTR2ALDH1A1
SCHEMBL21344274 0.85 ACACA (0.32) ACACA
SCHEMBL21343720 0.85 NPY2R (0.37) KCNH2HCRTR1HCRTR2ALDH1A1HPGD
SCHEMBL22992155 0.85 CYP3A4 (0.44) ALDH1A1HPGDHSD17B10USP2CYP3A4
SCHEMBL22992053 0.85 CHRNA4 (0.36) ALDH1A1HPGDHSD17B10USP2CYP3A4
SCHEMBL22992134 0.85 MGLL (0.36) USP2CYP3A4

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-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
WO-2019170745-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 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 (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 DPP4 417/4885KCNH2 300/4885HCRTR1 102/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 DPP4 417/4885KCNH2 300/4885HCRTR1 102/4885

“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.