SCHEMBL10195339

SCHEMBL10195339

CCc1ccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KIF11 P52732 5/20 0.36
ALDH1A1 P00352 5/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 3/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
HSP90AA1 P07900 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
EPAS1 Q99814 1/20 0.33

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
SCHEMBL10195046 0.88 HSPB1 (0.42) ALDH1A1LMNAKDM4EGLAGAA
SCHEMBL16181144 0.87 AR (0.37) CYP1A2CYP2C9CYP2C19
SCHEMBL10195340 0.87 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EGLAGAA
SCHEMBL10195342 0.86 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL10195338 0.86 ESRRA (0.38) CYP1A2CYP2C9CYP2C19KIF11ALDH1A1
SCHEMBL10195344 0.85 MAPT (0.43) CYP2C9ALDH1A1LMNAKDM4EGAA
SCHEMBL10195334 0.85 POLB (0.42) ALDH1A1KDM4EMAPTHTTHSP90AA1
SCHEMBL10195343 0.84 ESRRA (0.38) CYP2C9CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL10195177 0.84 AR (0.39)
SCHEMBL16351689 0.83 ALDH1A1 (0.38) CYP2C9ALDH1A1LMNAKDM4EGLA

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 5 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-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
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 CYP1A2 11/4885CYP2C9 23/4885CYP2C19 97/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 CYP1A2 67/4885CYP2C9 249/4885CYP2C19 601/4885

“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.