SCHEMBL10195441

SCHEMBL10195441

CCc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1C1=C(O)[C@H]2CC[C@H](C2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
FFAR4 Q5NUL3 1/20 0.34
PDE2A O00408 3/20 0.34
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP14 P50281 1/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A2 P23975 2/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
MMP3 P08254 1/20 0.32
MMP13 P45452 1/20 0.32
SLC6A3 Q01959 1/20 0.32
EPHX2 P34913 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
SCHEMBL10195196 0.88 FFAR4 (0.36) FFAR4MMP2MMP9MMP3MMP13
SCHEMBL16351662 0.87 LPAR1 (0.39) PTGS2MMP13
SCHEMBL10195195 0.86 MAOA (0.38)
SCHEMBL10194959 0.86 FFAR4 (0.36) FFAR4MMP2MMP9SLC6A4SLC6A3
SCHEMBL16351670 0.85 CYP26A1 (0.32) PDE2AEPHX2
SCHEMBL10195566 0.84 MRGPRX4 (0.32) PDE2ASLC6A4
SCHEMBL16351639 0.83 NAAA (0.37)
SCHEMBL10195437 0.82 SLC6A4 (0.37) FFAR4SLC6A4
SCHEMBL10195442 0.82 HTR2A (0.36) FFAR4SLC6A4
SCHEMBL10195587 0.82 AR (0.40)

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 PTGS2 3601/4885FFAR4 1065/4885PDE2A 1510/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PTGS2 3414/4885FFAR4 1124/4885PDE2A 1724/4885

“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.