SCHEMBL731439

SCHEMBL731439

CCCOCC(=O)[N][C]=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.35
HCAR2 Q8TDS4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL733526 0.83
SCHEMBL731440 0.79 HSD17B10 (0.35) CES2HSD17B10
SCHEMBL733390 0.73
SCHEMBL733398 0.70 ALDH1A1 (0.39) HSD17B10ALDH1A1
SCHEMBL15290248 0.69 HSD17B10 (0.34) CES2HSD17B10
SCHEMBL5164558 0.69
SCHEMBL732430 0.68
SCHEMBL2241590 0.67
SCHEMBL8383900 0.67
SCHEMBL295696 0.67

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-8138118-B2 Plant safening agents ; side effect reduction of pesticides, herbicides, insecticides, fungicides BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-7838463-B2 Safeners based on acrylic-aliphatic carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2010-11-23 US disclosed
US-20050049145-A1 Safeners based on acrylic-aliphatic carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2005-03-03 US disclosed
US-20050037922-A1 Use of hydroxyaromatics as safeners BAYER CROPSCIENCE GMBH (DE) 2005-02-17 US disclosed
US-20040224844-A1 Use of hydroxyaromatic compounds as safeners BAYER CROPSCIENCE GMBH (DE) 2004-11-11 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 (3 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-20050037922-A1 Use of hydroxyaromatics as safeners CBR1, CYP8B1, AHR CES2 616/4885HCAR2 34/4885HSD17B10 143/4885
US-20050049145-A1 Safeners based on acrylic-aliphatic carboxylic acid derivatives GRHPR, HCAR1, HCAR3 CES2 494/4885HCAR2 5/4885HSD17B10 241/4885
US-20040224844-A1 Use of hydroxyaromatic compounds as safeners CBR1, CYC1, NR2E1 CES2 381/4885HCAR2 216/4885HSD17B10 265/4885

“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.