SCHEMBL733398

SCHEMBL733398

CC(=O)OCC(=O)[N][C]=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FAAH O00519 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32

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
SCHEMBL733399 0.77 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10FAAHSMN1; SMN2
SCHEMBL732430 0.71
SCHEMBL10530238 0.66 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10FAAHSMN1; SMN2
SCHEMBL311876 0.66 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10FAAHSMN1; SMN2
SCHEMBL10458150 0.66 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10FAAHSMN1; SMN2
SCHEMBL10530231 0.66 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10FAAHSMN1; SMN2
SCHEMBL4869307 0.66
SCHEMBL4688208 0.66 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10FAAHSMN1; SMN2
SCHEMBL36403 0.66
SCHEMBL27822761 0.65

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 11 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
EP-1653804-A1 USE OF AROMATIC COMPOUNDS AS SAFENERS Bayer CropScience GmbH (DE) 2006-05-10 EP disclosed
EP-1653806-A1 SAFENER BASED ON AROMATIC-ALIPHATIC CARBOXYLIC ACID DERIVATIVES Bayer CropScience GmbH (DE) 2006-05-10 EP disclosed
EP-1610611-A1 USE OF AROMATIC HYDROXY COMPOUNDS AS SAFENERS Bayer CropScience GmbH (DE) 2006-01-04 EP disclosed
US-20050049145-A1 Safeners based on acrylic-aliphatic carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2005-03-03 US disclosed
WO-2005016001-A1 SAFENER BASED ON AROMATIC-ALIPHATIC CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2005-02-24 WO disclosed
WO-2005015994-A1 USE OF AROMATIC COMPOUNDS AS SAFENERS BAYER CROPSCIENCE GMBH (DE) 2005-02-24 WO 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
WO-2004084631-A1 USE OF AROMATIC HYDROXY COMPOUNDS AS SAFENERS BAYER CROPSCIENCE GMBH (DE) 2004-10-07 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 (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 ALDH1A1 486/4885LMNA 2857/4885HSD17B10 143/4885
US-20050049145-A1 Safeners based on acrylic-aliphatic carboxylic acid derivatives GRHPR, HCAR1, HCAR3 ALDH1A1 670/4885LMNA 2990/4885HSD17B10 241/4885
US-20040224844-A1 Use of hydroxyaromatic compounds as safeners CBR1, CYC1, NR2E1 ALDH1A1 1462/4885LMNA 3966/4885HSD17B10 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.