SCHEMBL21344853

SCHEMBL21344853

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)c4cncn4C)CC3)CC2=O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP3A4 P08684 4/20 0.36
SLC9A1 P19634 1/20 0.36
RBP4 P02753 1/20 0.36
CYP11B1 P15538 5/20 0.34
CYP11B2 P19099 4/20 0.34
PARP1 P09874 2/20 0.33
CYP1A2 P05177 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP2D6 P10635 1/20 0.32
PIK3CD O00329 2/20 0.31
PIK3CA P42336 2/20 0.31
USP2 O75604 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 2/20 0.31
TNKS O95271 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL21344672 0.84 VNN1 (0.36) CYP3A4
SCHEMBL21344270 0.83 KMT2A (0.40) CYP2C9CYP2C19CYP3A4CYP11B2CYP1A2
SCHEMBL22992155 0.83 CYP3A4 (0.44) CYP2C9CYP2C19CYP3A4CYP1A2SMN1; SMN2
SCHEMBL22992040 0.81 CYP3A4 (0.47) CYP2C9CYP3A4CYP1A2CYP2D6USP2
SCHEMBL22992059 0.81 ACACA (0.33)
SCHEMBL21344257 0.81 PSEN1 (0.36) CYP2C9CYP2C19CYP3A4SLC9A1CYP11B1
SCHEMBL22992061 0.81 NAMPT (0.37) CYP2C9CYP2C19CYP1A2SMN1; SMN2CYP2D6
SCHEMBL21343899 0.81 USP2 (0.31) CYP3A4USP2
SCHEMBL21344679 0.81 NAMPT (0.42) CYP2C9CYP11B1CYP11B2CYP2D6USP2
SCHEMBL22992203 0.81 NAMPT (0.36) CYP3A4RBP4PARP1PIK3CDPIK3CA

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 CYP2C9 73/4885CYP2C19 286/4885CYP3A4 245/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 CYP2C9 73/4885CYP2C19 286/4885CYP3A4 245/4885

“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.