SCHEMBL10196096

SCHEMBL10196096

O=C1CCC(O)=C1c1cc(Oc2ccc(Cl)cc2)ccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SCN3A Q9NY46 1/20 0.35
CHRM5 P08912 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
AR P10275 1/20 0.34
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN9A Q15858 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL12119004 0.80 MARS1 (0.38) DHODH
SCHEMBL19070665 0.79 MAOA (0.41) MAOAMAOBALDH1A1LMNAMEN1
SCHEMBL10196052 0.78 MAOA (0.39) MAOAMAOBHTR2AHTR2C
SCHEMBL10196155 0.77 MAOA (0.39) MAOAMAOBHTR2AALDH1A1LMNA
SCHEMBL10196044 0.76 MAOA (0.39) MAOAMAOBALDH1A1LMNAFFAR4
SCHEMBL10195066 0.75 PNLIP (0.36) PNLIPMAOAMAOBSCN3ACHRM5
SCHEMBL516287 0.75 MAOB (0.36) MAOAMAOBHTR2AALDH1A1LMNA
SCHEMBL10196163 0.71 SLC6A4 (0.42) HTR2AHTR2CSCN8ASCN10ASCN9A
SCHEMBL407940 0.71 PNLIP (0.39) PNLIPMAOAMAOBSCN3ACHRM5
SCHEMBL10195108 0.71 MAOA (0.41) MAOAMAOBHTR2AALDH1A1LMNA

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 6 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-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
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PNLIP 3374/4885MAOA 2359/4885MAOB 2064/4885

“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.