SCHEMBL21344729

SCHEMBL21344729

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)c4cc[nH]n4)CC3)CC2=O)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 6/20 0.33
KDM1A O60341 2/20 0.32
ACACB O00763 3/20 0.31
GRM5 P41594 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 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
SCHEMBL21343722 0.84 CYP3A4 (0.34) ACACAACACBGABRA1
SCHEMBL22992127 0.83 CHRNA4 (0.36) KDM1A
SCHEMBL21344636 0.83 L3MBTL1 (0.44)
SCHEMBL22992238 0.83
SCHEMBL21343899 0.83 USP2 (0.31) KDM1A
SCHEMBL21343717 0.83 EPHX2 (0.38)
SCHEMBL22992155 0.83 CYP3A4 (0.44)
SCHEMBL22992214 0.83 CCR8 (0.42)
SCHEMBL22992042 0.83 NAMPT (0.37) ACACAKDM1A
SCHEMBL21343898 0.82 NAMPT (0.35)

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 ACACA 1342/4885KDM1A 181/4885ACACB 1336/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 ACACA 1342/4885KDM1A 181/4885ACACB 1336/4885

“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.