SCHEMBL546707

SCHEMBL546707

CCOCC(C#N)OS(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL546683 0.80 CA2 (0.32) ALDH1A1
SCHEMBL546080 0.80 USP2 (0.36) ALDH1A1
SCHEMBL1397823 0.79 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2857837 0.77 THRB (0.33)
SCHEMBL6214641 0.73 ALDH1A1 (0.40) ALDH1A1
SCHEMBL11022170 0.73
SCHEMBL3466291 0.72 ALDH1A1 (0.41) ALDH1A1
SCHEMBL27800577 0.72 ALDH1A1 (0.41) ALDH1A1
SCHEMBL19395952 0.72
SCHEMBL6213221 0.71 ALDH1A1 (0.44) ALDH1A1

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-8110593-B2 Phenoxymethyl imidazoline derivatives and their use as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 US disclosed
US-20100120881-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-13 US disclosed
EP-2117310-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-18 EP disclosed
WO-2008098657-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-08-21 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 (1 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-20100120881-A1 CHEMICAL COMPOUNDS AADAC, ACHE, ATL3 ALDH1A1 991/4885

“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.