SCHEMBL10195340

SCHEMBL10195340

CCc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
MAPT P10636 8/20 0.45
LMNA P02545 7/20 0.45
KDM4E B2RXH2 4/20 0.45
HTT P42858 3/20 0.45
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 9/20 0.45
MEN1 O00255 8/20 0.45
THRB P10828 1/20 0.45
HSPB1 P04792 3/20 0.44
POLB P06746 1/20 0.41
TTR P02766 3/20 0.39
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL16351664 0.92 ALDH1A1 (0.41) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL10195393 0.91 HSPB1 (0.43) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL10195377 0.91 LMNA (0.38) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL10195376 0.91 PDE7A (0.44) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL10195342 0.90 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL10195046 0.90 HSPB1 (0.42) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL10195344 0.88 MAPT (0.43) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL10195334 0.88 POLB (0.42) ALDH1A1MAPTKDM4EHTTKMT2A
SCHEMBL16351689 0.88 ALDH1A1 (0.38) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL10195343 0.87 ESRRA (0.38) ALDH1A1MAPTLMNAKDM4EHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 45/4885MAPT 3785/4885LMNA 4151/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885MAPT 3903/4885LMNA 4657/4885

“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.