SCHEMBL21344698

SCHEMBL21344698

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)NC(=O)c4ccc(C#N)cn4)CC3)CC2=O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.36
BACE2 Q9Y5Z0 7/20 0.35
AR P10275 1/20 0.34
ACACA Q13085 1/20 0.34
FASN P49327 2/20 0.34
KCNH1 O95259 1/20 0.34
HIF1A Q16665 1/20 0.33

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
SCHEMBL21344680 0.91 NAMPT (0.35) BACE1BACE2
SCHEMBL21344694 0.90 BACE1 (0.33) BACE1BACE2
SCHEMBL22992248 0.89 IRAK4 (0.35) BACE1BACE2
SCHEMBL22992041 0.89 ACACA (0.39) ACACAFASNHIF1A
SCHEMBL21343897 0.88 CYP1A2 (0.35) BACE1BACE2
SCHEMBL22992072 0.87 TRPV1 (0.36) BACE1BACE2ACACA
SCHEMBL22942059 0.86 RAB9A (0.35)
SCHEMBL21344693 0.83 ALDH1A1 (0.32)
SCHEMBL21343728 0.82 CYP3A4 (0.31)
SCHEMBL21343726 0.82 NAMPT (0.33)

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 BACE1 2863/4885BACE2 1789/4885AR 3790/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 BACE1 2863/4885BACE2 1789/4885AR 3790/4885

“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.