SCHEMBL6450192

SCHEMBL6450192

Cn1nnn(CCOc2c(S(C)(=O)=O)ccc(C(=O)C3C(=O)CCCC3=O)c2Cl)c1=O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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
SCHEMBL6453154 0.88 MEN1 (0.35)
SCHEMBL6482095 0.84 LMNA (0.33) ALDH1A1
SCHEMBL6480268 0.83 ALDH1A1 (0.30) ALDH1A1MAPK1HTT
SCHEMBL6479779 0.83 MAPK1 (0.33) ALDH1A1MAPK1HTT
SCHEMBL6491673 0.81 ALDH1A1 (0.30) ALDH1A1MAPK1HTT
SCHEMBL6480542 0.81 KMT2A (0.34) ALDH1A1MAPK1HTT
SCHEMBL8092645 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1HTT
SCHEMBL6449046 0.80
SCHEMBL6481031 0.80
SCHEMBL24375559 0.78 GNRHR (0.32) ALDH1A1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-09-01 US disclosed
EP-1423005-A1 HERBICIDAL MIXTURES BASED ON SUBSTITUTED ARYL KETONES Bayer CropScience AG (DE) 2004-06-02 EP disclosed
WO-2003020033-A1 HERBICIDAL MIXTURES BASED ON SUBSTITUTED ARYL KETONES BAYER CROPSCIENCE AG (DE) 2003-03-13 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-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones DDT, CBR3, CYP1B1 ALDH1A1 148/4885MAPK1 3032/4885HTT 438/4885

“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.