SCHEMBL10195427

SCHEMBL10195427

CCc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
BACE1 P56817 1/20 0.34
SLC6A4 P31645 4/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
PTGS2 P35354 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
CES1 P23141 1/20 0.33
CHRM5 P08912 3/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
RAF1 P04049 1/20 0.31
EPHX2 P34913 1/20 0.31
SERPINE1 P05121 1/20 0.31
BRD4 O60885 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
SCHEMBL16351654 0.93 HPGD (0.30)
SCHEMBL10195200 0.89 MMP14 (0.35) SLC6A4MMP2MMP3MMP9MMP13
SCHEMBL10195100 0.88 LTB4R (0.35) PTGS2MMP13
SCHEMBL16351652 0.87 LPAR1 (0.39) PTGS2MMP13BRD4
SCHEMBL10195021 0.86 MAOB (0.39) PTGER4SLC6A4PTGS2MMP13
SCHEMBL10195074 0.86 MAOB (0.41)
SCHEMBL10195304 0.85 PTGS1 (0.35) BACE1SLC6A4PTGS2
SCHEMBL10195314 0.85 KIF11 (0.39) MMP2MMP3MMP9MMP13
SCHEMBL13286527 0.85 HTR2A (0.39) SLC6A4EPHX2
SCHEMBL13042139 0.84 PTGER4 (0.40) PTGER4GPR84PTGS2MMP2MMP9

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 PTGER4 3715/4885BACE1 1253/4885SLC6A4 1501/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PTGER4 3859/4885BACE1 1901/4885SLC6A4 1443/4885

“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.