SCHEMBL10195046

SCHEMBL10195046

CCc1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.42
ALDH1A1 P00352 6/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
GLA P06280 2/20 0.34
HTT P42858 2/20 0.34
S1PR4 O95977 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HSP90AA1 P07900 2/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL13286310 0.92 HSPB1 (0.33) HSPB1
SCHEMBL10195340 0.90 ALDH1A1 (0.45) HSPB1ALDH1A1MAPTLMNAKDM4E
SCHEMBL10195342 0.89 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL10195339 0.88 CYP1A2 (0.44) HSPB1ALDH1A1MAPTLMNAKDM4E
SCHEMBL10195084 0.88 MAPK14 (0.42) HSPB1
SCHEMBL10195334 0.87 POLB (0.42) HSPB1ALDH1A1MAPTKDM4EHTT
SCHEMBL16181150 0.87 PPARG (0.34)
SCHEMBL10195343 0.86 ESRRA (0.38) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL10195333 0.86 HSPB1 (0.34) HSPB1ALDH1A1MAPTLMNAKDM4E
SCHEMBL10195393 0.86 HSPB1 (0.43) HSPB1ALDH1A1MAPTLMNAKDM4E

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 HSPB1 1790/4885ALDH1A1 45/4885MAPT 3785/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HSPB1 1045/4885ALDH1A1 14/4885MAPT 3903/4885

“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.