SCHEMBL10195181

SCHEMBL10195181

CCc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.35
AR P10275 3/20 0.34
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAOB P27338 2/20 0.33
ESRRA P11474 1/20 0.32
MAOA P21397 1/20 0.32
NAAA Q02083 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
SCHEMBL10195222 0.92 SLC22A12 (0.35) AR
SCHEMBL16181152 0.92 AR (0.36) ARESRRA
SCHEMBL10195179 0.91 AR (0.38) ARESRRA
SCHEMBL16181145 0.89 AR (0.39) ARESRRA
SCHEMBL10195183 0.88 PGR (0.37) PDE4BCYP19A1MAOBNAAA
SCHEMBL10195374 0.88 AR (0.35) ARMAOBMAOA
SCHEMBL10195373 0.88 HTR2A (0.36) AR
SCHEMBL10195180 0.88 AR (0.50) ARESRRA
SCHEMBL10195354 0.88 AR (0.41) AR
SCHEMBL13286419 0.88 AR (0.31) AR

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 PDE4B 965/4885AR 2889/4885CYP19A1 18/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PDE4B 1225/4885AR 3331/4885CYP19A1 74/4885

“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.