SCHEMBL10196183

SCHEMBL10196183

CCc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
MMP14 P50281 1/20 0.32
LIPE Q05469 4/20 0.32
CHRM5 P08912 2/20 0.32
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
FFAR4 Q5NUL3 1/20 0.31
PTGER4 P35408 1/20 0.31
MMP3 P08254 1/20 0.31
MMP13 P45452 1/20 0.31
BTK Q06187 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
SCHEMBL10196175 0.89 LTB4R (0.33) MMP2MMP9FFAR4MMP3MMP13
SCHEMBL19070941 0.88 MCHR1 (0.33) MMP2MMP9MMP14MMP3MMP13
SCHEMBL10196000 0.87 MAOA (0.34) SLC6A4FFAR4MMP13
SCHEMBL19070977 0.87 MAOA (0.36)
SCHEMBL19070661 0.87 MAOA (0.34) SLC6A4FFAR4MMP13
SCHEMBL10196100 0.87 MAOA (0.36)
SCHEMBL10196307 0.85 MRGPRX4 (0.31)
SCHEMBL10196179 0.83 SLC6A4 (0.35) SLC6A4BTK
SCHEMBL10196174 0.83 HTR2A (0.35) SLC6A4
SCHEMBL19071001 0.83 AR (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGS2 3414/4885MMP2 2727/4885MMP9 4573/4885

“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.