SCHEMBL10195277

SCHEMBL10195277

CCc1ccc(Oc2cc(C#N)ccn2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.36
BACE2 Q9Y5Z0 8/20 0.36
P2RX3 P56373 9/20 0.36
KDM4C Q9H3R0 1/20 0.33
MAOB P27338 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL10195269 0.87 PDE4B (0.41) P2RX3MAOB
SCHEMBL10195167 0.87 DRD1 (0.36) KDM4C
SCHEMBL10195296 0.86 PPARG (0.35) P2RX3KDM4C
SCHEMBL10195131 0.85 KDM4E (0.31)
SCHEMBL10195262 0.85 GRM5 (0.36)
SCHEMBL10195183 0.85 PGR (0.37) MAOB
SCHEMBL10195151 0.85 PDE4A (0.37) MAOB
SCHEMBL10195160 0.84 PTGS2 (0.40) BACE1
SCHEMBL10195214 0.83 ALK (0.30)
SCHEMBL10195272 0.83 NPC1 (0.38) BACE1P2RX3

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 BACE1 1253/4885BACE2 497/4885P2RX3 821/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 BACE1 1901/4885BACE2 883/4885P2RX3 1462/4885

“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.