SCHEMBL10195605

SCHEMBL10195605

CC1(C)OC(C)(C)C(O)=C(c2cc(Oc3ccc(Cl)cc3F)ccc2C2CC2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HIF1A Q16665 1/20 0.34
SCN9A Q15858 8/20 0.34
FPR2 P25090 4/20 0.34
MAPK14 Q16539 2/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
OPRL1 P41146 1/20 0.32
BRAF P15056 1/20 0.31
KDR P35968 1/20 0.31
TPH1 P17752 2/20 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
SCHEMBL10195057 0.91 MRGPRX4 (0.37) HIF1A
SCHEMBL10195616 0.89 MAPK14 (0.33) MAPK14
SCHEMBL10195620 0.88 SOS1 (0.34) GPBAR1HIF1ASCN9A
SCHEMBL10195606 0.87 MAOB (0.37)
SCHEMBL10195607 0.86 CHRNA3 (0.34) GPBAR1HIF1AMAPK14
SCHEMBL13286432 0.85 MAPK14 (0.35) MAPK14
SCHEMBL16351669 0.84 SLC6A4 (0.34)
SCHEMBL10195083 0.84 SLC6A4 (0.38) HIF1ASCN9AMAPK14SCN8ASCN10A
SCHEMBL10195617 0.83 SLC6A2 (0.35) SCN9A
SCHEMBL10195614 0.83 LMNA (0.32)

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 GPBAR1 1075/4885HTR2C 533/4885HTR2B 827/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 GPBAR1 1010/4885HTR2C 565/4885HTR2B 989/4885

“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.