SCHEMBL10195020

SCHEMBL10195020

CCc1ccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTT P42858 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ALDH1A1 P00352 5/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDK1 Q15118 1/20 0.31

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
SCHEMBL10195341 0.89 ALDH1A1 (0.37) LMNAMAPTHTTALDH1A1GAA
SCHEMBL10195287 0.88 MERTK (0.35) LMNAMAPTNPSR1HTTALDH1A1
SCHEMBL10195334 0.87 POLB (0.42) MAPTNPSR1CYP3A4HTTALDH1A1
SCHEMBL10195309 0.87 HSP90AA1 (0.41) HSP90AA1
SCHEMBL10195376 0.86 PDE7A (0.44) LMNAMAPTHTTALDH1A1TDP1
SCHEMBL10195336 0.86 MAPT (0.31) MAPT
SCHEMBL10195338 0.86 ESRRA (0.38) LMNACYP2C9CYP2C19NPSR1CYP1A2
SCHEMBL10195089 0.86 THRA (0.33) GSK3BHSP90AA1
SCHEMBL10195184 0.85 HSP90AA1 (0.32) HSP90AA1
SCHEMBL16351651 0.85 HTR2A (0.36) LMNATDP1HSP90AA1

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 LMNA 4151/4885MAPT 3785/4885CYP2C9 23/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 LMNA 4657/4885MAPT 3903/4885CYP2C9 249/4885

“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.