SCHEMBL10195617

SCHEMBL10195617

CC1(C)OC(C)(C)C(O)=C(c2cc(Oc3ccc(F)cc3)ccc2C2CC2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
ABL1 P00519 1/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 1/20 0.33
ALOX5 P09917 1/20 0.33
PARP14 Q460N5 1/20 0.32
PARP10 Q53GL7 1/20 0.32
SCN9A Q15858 2/20 0.32
HTR1A P08908 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
MET P08581 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
MMP13 P45452 1/20 0.31
MAOB P27338 1/20 0.31
KDM2B Q8NHM5 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
SCHEMBL10195606 0.89 MAOB (0.37) FFAR4PDE4APDE4BPDE4CPDE4D
SCHEMBL10195611 0.89 MAOB (0.39) MAOB
SCHEMBL10195622 0.89 MMP9 (0.33) MMP13
SCHEMBL16351671 0.89 FFAR4 (0.34) SLC6A3FFAR4
SCHEMBL10195620 0.88 SOS1 (0.34) CNR2CNR1SCN9A
SCHEMBL10195607 0.88 CHRNA3 (0.34)
SCHEMBL16351677 0.88
SCHEMBL10195619 0.85 MAOB (0.32) MAOB
SCHEMBL16181208 0.85 DRD2 (0.32)
SCHEMBL10195616 0.83 MAPK14 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
WO-2010081755-A1 NOVEL 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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SLC6A2 2464/4885SLC6A4 1501/4885SLC6A3 1054/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SLC6A2 2164/4885SLC6A4 1443/4885SLC6A3 862/4885

“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.