SCHEMBL10196085

SCHEMBL10196085

CCc1ccc(Oc2cccc(Cl)c2)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
FFAR1 O14842 1/20 0.35
MMP14 P50281 3/20 0.34
MMP13 P45452 3/20 0.34
ABL1 P00519 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
MMP1 P03956 2/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
HIF1A Q16665 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
GHSR Q92847 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL19070649 1.00 NAAA (0.35) NAAAFFAR1MMP14MMP13ABL1
SCHEMBL10196000 0.91 MAOA (0.34) MMP13HTR2ASLC6A4KCNH2MMP1
SCHEMBL19070661 0.91 MAOA (0.34) MMP13HTR2ASLC6A4KCNH2MMP1
SCHEMBL10196177 0.88 KDM4E (0.33) FFAR1
SCHEMBL10196179 0.87 SLC6A4 (0.35) HTR2ASLC6A4KCNH2HIF1AHRH3
SCHEMBL10196169 0.87 FFAR1 (0.38) FFAR1MAPTHTR2ASLC6A4KCNH2
SCHEMBL10196176 0.85 MCHR1 (0.32)
SCHEMBL10196075 0.85 S1PR1 (0.35) MMP14MMP13ABL1HIF1A
SCHEMBL10196174 0.85 HTR2A (0.35) MAPTHTR2ASLC6A4KCNH2HIF1A
SCHEMBL19071341 0.85 S1PR1 (0.35) MMP14MMP13ABL1HIF1A

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 NAAA 758/4885FFAR1 752/4885MMP14 3917/4885

“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.