SCHEMBL10195374

SCHEMBL10195374

CCc1ccc(Oc2ccc(Br)cc2C#N)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
AAK1 Q2M2I8 2/20 0.31
NPSR1 Q6W5P4 1/20 0.30
HTR2A P28223 2/20 0.30
SLC6A4 P31645 2/20 0.30
KCNH2 Q12809 2/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
SLC22A8 Q8TCC7 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
SLC22A11 Q9NSA0 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
SCHEMBL16181145 0.90 AR (0.39) ARCYP2C8CYP2C9CYP2C19SLC22A6
SCHEMBL10195373 0.89 HTR2A (0.36) ARHTR2ASLC6A4KCNH2CYP2C8
SCHEMBL10195181 0.88 PDE4B (0.35) ARMAOAMAOB
SCHEMBL10195081 0.87 MEN1 (0.31) MAOAMAOBHTR2ASLC6A4KCNH2
SCHEMBL10195343 0.86 ESRRA (0.38) ARNPSR1CYP2C8CYP2C9CYP2C19
SCHEMBL10195204 0.86 AR (0.41) ARHTR2ASLC6A4KCNH2
SCHEMBL10195077 0.86 HTR2A (0.36) HTR2ASLC6A4KCNH2
SCHEMBL10195073 0.86 MAPK14 (0.33)
SCHEMBL10195223 0.85 AR (0.39) ARHTR2ASLC6A4KCNH2CYP2C8
SCHEMBL10195222 0.85 SLC22A12 (0.35) ARKCNH2SLC22A12

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 AR 2889/4885MAOA 1359/4885MAOB 1215/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 AR 3331/4885MAOA 2359/4885MAOB 2064/4885

“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.