SCHEMBL407043

SCHEMBL407043

O=C1CCC(=O)C1c1cc(Br)ccc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.37
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
KDM1A O60341 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALPL P05186 2/20 0.33
SLC6A4 P31645 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL419374 0.76 ALDH1A1 (0.39) WDR5MEN1ALDH1A1KMT2AALPL
SCHEMBL407940 0.75 PNLIP (0.39) MEN1ALDH1A1KMT2AMAOAMAOB
SCHEMBL30975319 0.74 SLC6A4 (0.34) KDM1AALDH1A1MAOAMAOBALPL
SCHEMBL1316543 0.72 MARS1 (0.37)
SCHEMBL4704298 0.70 MAPK1 (0.43) MEN1ALDH1A1KMT2AMAOAMAOB
SCHEMBL526369 0.70 HRH4 (0.40) MEN1ALDH1A1KMT2AMAOAMAOB
SCHEMBL401990 0.69 PTGDR (0.36) KDM1AMEN1KMT2A
SCHEMBL404243 0.68 TSHR (0.40) WDR5MEN1ALDH1A1KMT2A
SCHEMBL425877 0.68 EPHX2 (0.50) ALDH1A1MAOAMAOBALPLSLC6A4
SCHEMBL21381618 0.68 KDM1A (0.43) KDM1AALDH1A1MAOAMAOBALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8530388-B2 Cyclopentadione derived herbicides SYNGENTA LIMITED (GB) 2013-09-10 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2389066-A1 CYCLOPENTADIONE DERIVED HERBICIDES Syngenta Limited (GB) 2011-11-30 EP disclosed
EP-2387310-A1 CYCLOPENTADIONE DERIVED HERBICIDES Syngenta Limited (GB) 2011-11-23 EP disclosed
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2011-11-10 US disclosed
US-D646956-S1 TV mount LEUNG ALEX 2011-10-18 US disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 WO disclosed
WO-2010081894-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 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 (2 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 WDR5 1149/4885DDB1 1073/4885CRBN 3463/4885
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES DDT, CYP1B1, CYP1A1 WDR5 2640/4885DDB1 1105/4885CRBN 2729/4885

“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.