SCHEMBL20106605

SCHEMBL20106605

CCOC(=O)C(C)=CNNC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CYP2D6 P10635 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
DHODH Q02127 2/20 0.38
EGLN1 Q9GZT9 1/20 0.37
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TRPA1 O75762 1/20 0.35

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
SCHEMBL516444 0.83 GLO1 (0.47) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL21427204 0.83 GLO1 (0.47) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL28418769 0.79 GLO1 (0.40) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL17105851 0.78 ALDH1A1 (0.48) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
Dimethylamine SCHEMBL27509730 0.77 GLO1 (0.48) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL10452370 0.76 NPSR1 (0.44) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL8928230 0.76 GLO1 (0.44) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL21033143 0.76 ALDH1A1 (0.40) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL3699121 0.74 GLO1 (0.42) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL20332132 0.74 ALDH1A1 (0.46) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11330821-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2022-05-17 US disclosed
US-20180116219-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-03 US 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-11330821-B2 Herbicidal compounds DDT, HPD, HDHD5 GLO1 36/4885ALDH1A1 258/4885CYP2D6 24/4885
US-20180116219-A1 HERBICIDAL COMPOUNDS DDT, HPD, HDHD5 GLO1 36/4885ALDH1A1 258/4885CYP2D6 24/4885

“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.