SCHEMBL418343

SCHEMBL418343

CC1(C)OC(C)(C)C(=O)C(c2cc(Oc3ccc(Cl)cc3Cl)ccc2C2CC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
HTR1A P08908 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
TDP1 Q9NUW8 1/20 0.35
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MMP13 P45452 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 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
SCHEMBL1745694 0.83 SLC6A2 (0.38) FFAR1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10195057 0.80 MRGPRX4 (0.37) FFAR1MRGPRX4HTR1ASLC6A2SLC6A4
SCHEMBL869032 0.79 EDNRB (0.37) SLC6A3
SCHEMBL3026367 0.77 PGR (0.39)
SCHEMBL867844 0.72 FASN (0.38)
SCHEMBL16351669 0.71 SLC6A4 (0.34) MRGPRX4SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL412386 0.71 ALDH1A1 (0.38) SLC6A4MEN1KMT2ALMNA
SCHEMBL2037804 0.70 F9 (0.36)
SCHEMBL10195605 0.70 GPBAR1 (0.35) HIF1A
SCHEMBL1742467 0.70 ALDH1A1 (0.38) SLC6A4LMNAMMP13PPARG

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-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-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
EP-2387569-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-11-23 EP 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 FFAR1 1022/4885MRGPRX4 1286/4885HTR1A 987/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 FFAR1 752/4885MRGPRX4 1260/4885HTR1A 1061/4885

“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.