SCHEMBL732540

SCHEMBL732540

O=C=NC(=O)COCCO

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL731440 0.81 HSD17B10 (0.35)
SCHEMBL732539 0.78 TSHR (0.38) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL12106714 0.75
SCHEMBL3742989 0.73
SCHEMBL12123165 0.72
SCHEMBL733391 0.70
SCHEMBL7813926 0.67 TSHR (0.45) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL8492148 0.67 MEN1 (0.50) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL766381 0.66
Di(Hydroxyethyl)Ether SCHEMBL28166767 0.65 TSHR (0.50) TSHRMAPK1MEN1KMT2AALDH1A1

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 TSHR 635/4885MAPK1 3382/4885MEN1 4848/4885
US-20050049145-A1 Safeners based on acrylic-aliphatic carboxylic acid derivatives GRHPR, HCAR1, HCAR3 TSHR 475/4885MAPK1 2838/4885MEN1 4289/4885
US-20040224844-A1 Use of hydroxyaromatic compounds as safeners CBR1, CYC1, NR2E1 TSHR 1066/4885MAPK1 2023/4885MEN1 4748/4885

“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.