SCHEMBL21344669

SCHEMBL21344669

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)c4cccnc4)CC3)CC2=O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
FABP6 P51161 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
MYC P01106 1/20 0.39
NAMPT P43490 1/20 0.38
HTT P42858 1/20 0.38
CFTR P13569 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL22992155 0.90 CYP3A4 (0.44) MAPK1ALDH1A1
SCHEMBL22992057 0.89 ACACA (0.38) NAMPT
SCHEMBL21344277 0.89 ALDH1A1 (0.36) CHRM2TDP1GAAALDH1A1LMNA
SCHEMBL21344672 0.89 VNN1 (0.36)
SCHEMBL21344670 0.89 CHRM2 (0.42) CHRM2ALDH1A1HTTPOLB
SCHEMBL21344679 0.86 NAMPT (0.42) TDP1NAMPT
SCHEMBL22908553 0.86 TDP1 (0.43) CHRM2TDP1GAAPKMALDH1A1
SCHEMBL21344251 0.85 ALDH1A1 (0.45) ALDH1A1NAMPT
SCHEMBL21344667 0.85 SMN1; SMN2 (0.42) MAPK1
SCHEMBL22992040 0.84 CYP3A4 (0.47) MAPK1ALDH1A1

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 CHRM2 123/4885TDP1 1771/4885FABP6 4120/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 CHRM2 123/4885TDP1 1771/4885FABP6 4120/4885

“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.