SCHEMBL21343729

SCHEMBL21343729

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 5/20 0.41
CYP2C9 P11712 3/20 0.41
USP2 O75604 3/20 0.41
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 4/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL21344861 0.90 CACNA1H (0.37) CYP3A4SMN1; SMN2CYP1A2CYP2C9USP2
SCHEMBL24324688 0.90 CYP3A4 (0.32) CYP3A4SMN1; SMN2CYP1A2CYP2C9USP2
SCHEMBL22992095 0.89 PIK3CA (0.34) CYP2D6HIF1AHSD17B10
SCHEMBL21344282 0.88 HIF1A (0.31) CYP3A4SMN1; SMN2HIF1A
SCHEMBL21344864 0.88 CYP3A4 (0.32) CYP3A4SMN1; SMN2CYP1A2CYP2C9USP2
SCHEMBL22992125 0.87 CYP2D6 (0.33) CYP3A4SMN1; SMN2CYP1A2CYP2C9USP2
SCHEMBL21344248 0.87 HIF1A (0.32) HIF1A
SCHEMBL21344737 0.86
SCHEMBL21285093 0.86 MMP2 (0.32)
SCHEMBL21344688 0.86

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
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 CYP3A4 245/4885SMN1; SMN2 4727/4885CYP1A2 14/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 CYP3A4 245/4885SMN1; SMN2 4727/4885CYP1A2 14/4885

“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.