SCHEMBL402927

SCHEMBL402927

CCc1cc(Oc2ccc(Br)cc2F)ccc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 4/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A4 P31645 4/20 0.32
KCNH2 Q12809 4/20 0.32
HTR2A P28223 3/20 0.32
GHSR Q92847 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
MTNR1B P49286 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KLKB1 P03952 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL402954 0.81 TSHR (0.40) TP53SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL3716646 0.81 TP53 (0.34) TP53PTGS2PTGS1SLC6A4KCNH2
SCHEMBL406720 0.79 CTSD (0.40) SLC6A4KCNH2HTR2AALDH1A1KMT2A
SCHEMBL10192795 0.78 MAPK14 (0.33) PTGS2PTGS1SLC6A4KCNH2HTR2A
SCHEMBL413847 0.76 HSPB1 (0.45) HTTMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL415548 0.76 PGR (0.36) SMN1; SMN2SLC6A4KCNH2HTR2AALDH1A1
SCHEMBL1742467 0.76 ALDH1A1 (0.38) SLC6A4KCNH2HTR2AALDH1A1
SCHEMBL10195073 0.76 MAPK14 (0.33) PTGS2PTGS1MTNR1BL3MBTL1MAPK14
SCHEMBL410941 0.74 LMNA (0.38) TP53SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL3658384 0.73 TSHR (0.36) SMN1; SMN2ALDH1A1L3MBTL1

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-9102642-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and methods of controlling weeds SYNGENTA LIMITED (GB) 2015-08-11 US disclosed
EP-2393796-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2015-02-25 EP disclosed
US-20120021909-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2393796-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-12-14 EP disclosed
WO-2010089211-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 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-20120021909-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 TP53 3477/4885HTT 584/4885SMN1; SMN2 2952/4885

“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.