SCHEMBL10195620

SCHEMBL10195620

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 4/20 0.34
EPAS1 Q99814 3/20 0.32
HIF1A Q16665 1/20 0.32
SCN9A Q15858 1/20 0.31
PPARG P37231 2/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
PGR P06401 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
SCHEMBL10195607 0.92 CHRNA3 (0.34) HIF1APPARGGPBAR1
SCHEMBL10195606 0.90 MAOB (0.37)
SCHEMBL16181208 0.89 DRD2 (0.32)
SCHEMBL10195617 0.88 SLC6A2 (0.35) SCN9ACNR1CNR2
SCHEMBL10195633 0.88 MRGPRX4 (0.32)
SCHEMBL10195605 0.88 GPBAR1 (0.35) HIF1ASCN9AGPBAR1
SCHEMBL16351671 0.87 FFAR4 (0.34) PPARG
SCHEMBL16351667 0.87 BRAF (0.31)
SCHEMBL10195635 0.86 DNMT3B (0.33)
SCHEMBL10195631 0.86 AR (0.38) PGR

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 SOS1 2793/4885EPAS1 2513/4885HIF1A 1849/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SOS1 2530/4885EPAS1 2367/4885HIF1A 1500/4885

“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.