SCHEMBL10195343

SCHEMBL10195343

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.38
LMNA P02545 7/20 0.37
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 4/20 0.36
EYA2 O00167 1/20 0.36
ALDH1A1 P00352 6/20 0.35
HSP90AA1 P07900 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLA2G7 Q13093 1/20 0.34
VCAM1 P19320 1/20 0.33
AR P10275 1/20 0.33
GAA P10253 4/20 0.33
KDM4E B2RXH2 3/20 0.33
GLA P06280 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 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
SCHEMBL10195350 0.88 VCAM1 (0.34) VCAM1AR
SCHEMBL16181145 0.87 AR (0.39) ESRRAPLA2G7ARCYP2C8CYP2C9
SCHEMBL10195340 0.87 ALDH1A1 (0.45) LMNAHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL10195373 0.86 HTR2A (0.36) MAPTPLA2G7ARKDM4EMEN1
SCHEMBL10195374 0.86 AR (0.35) NPSR1ARCYP2C8CYP2C9CYP2C19
SCHEMBL10195342 0.86 ALDH1A1 (0.47) LMNASMN1; SMN2MAPTALDH1A1HSP90AA1
SCHEMBL10195046 0.86 HSPB1 (0.42) LMNAHTTMAPTALDH1A1HSP90AA1
SCHEMBL10195181 0.86 PDE4B (0.35) ESRRAALDH1A1ARHPGD
SCHEMBL10195336 0.86 MAPT (0.31) MAPT
SCHEMBL10195334 0.85 POLB (0.42) HTTSMN1; SMN2MAPTALDH1A1HSP90AA1

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 ESRRA 1078/4885LMNA 4151/4885HTT 414/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ESRRA 891/4885LMNA 4657/4885HTT 584/4885

“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.