SCHEMBL10196052

SCHEMBL10196052

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALPL P05186 4/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
WDR5 P61964 1/20 0.33
KDR P35968 1/20 0.32
ALOX15 P16050 2/20 0.32
ALOX12 P18054 1/20 0.32
MAPT P10636 1/20 0.32
EPHX2 P34913 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
S100A4 P26447 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PARP1 P09874 1/20 0.31
PARP10 Q53GL7 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
SCHEMBL10196096 0.78 PNLIP (0.39) MAOAMAOBHTR2AHTR2C
SCHEMBL12119004 0.76 MARS1 (0.38)
SCHEMBL10196033 0.71 HSD17B1 (0.38) BCL2MCL1S100A4TDP1L3MBTL1
SCHEMBL10121083 0.71 MAOA (0.33) MAOAMAOBALPLBCL2MCL1
SCHEMBL10196066 0.70 EDNRB (0.37) BCL2MCL1WDR5S100A4TDP1
SCHEMBL4641653 0.69 MAOA (0.46) MAOAMAOBALPLWDR5KDR
SCHEMBL30694785 0.69 MAOA (0.46) MAOAMAOBALPLWDR5KDR
SCHEMBL13262069 0.69 HSD17B1 (0.40) BCL2MCL1S100A4L3MBTL1PARP10
SCHEMBL19071350 0.69 MAPK14 (0.38) HTR2A
SCHEMBL10196166 0.67 MAPK14 (0.37)

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
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-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-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
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2011-11-10 US disclosed
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2011-11-10 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 MAOA 2359/4885MAOB 2064/4885ALPL 2996/4885
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES DDT, CYP1B1, CYP1A1 MAOA 1805/4885MAOB 1481/4885ALPL 3790/4885

“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.