SCHEMBL10195607

SCHEMBL10195607

CC1(C)OC(C)(C)C(O)=C(c2cc(Oc3ccc(Cl)c(F)c3)ccc2C2CC2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 1/20 0.34
ACACB O00763 4/20 0.33
ACACA Q13085 4/20 0.33
GPR139 Q6DWJ6 1/20 0.33
MAPK14 Q16539 1/20 0.32
HIF1A Q16665 1/20 0.32
ATF4 P18848 2/20 0.32
PPARG P37231 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10195620 0.92 SOS1 (0.34) HIF1APPARGGPBAR1
SCHEMBL16351671 0.89 FFAR4 (0.34) PPARG
SCHEMBL10195617 0.88 SLC6A2 (0.35)
SCHEMBL10195606 0.88 MAOB (0.37) KMT2A
SCHEMBL16181208 0.87 DRD2 (0.32)
SCHEMBL10195605 0.86 GPBAR1 (0.35) MAPK14HIF1AGPBAR1
SCHEMBL10195633 0.86 MRGPRX4 (0.32)
SCHEMBL16351667 0.85 BRAF (0.31)
SCHEMBL10195635 0.84 DNMT3B (0.33) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL10195631 0.84 AR (0.38)

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 CHRNA3 2021/4885ACACB 679/4885ACACA 1105/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 CHRNA3 1887/4885ACACB 889/4885ACACA 1264/4885

“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.