SCHEMBL6459325

SCHEMBL6459325

CCCCC(Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
ERN1 O75460 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38

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
SCHEMBL6465591 0.92 ERN1 (0.42) ALDH1A1LMNAMAPTPOLBERN1
SCHEMBL6237455 0.91 MAPT (0.42) ALDH1A1LMNAMAPTPOLBERN1
SCHEMBL6465588 0.89 ERN1 (0.43) ALDH1A1LMNAMAPTPOLBERN1
SCHEMBL6233340 0.89 ERN1 (0.43) ALDH1A1LMNAMAPTPOLBERN1
SCHEMBL7643417 0.88 ERN1 (0.38) ALDH1A1LMNAMAPTPOLBERN1
SCHEMBL2329831 0.82 ALDH1A1 (0.44) ALDH1A1LMNAMAPTERN1SMN1; SMN2
SCHEMBL5671783 0.80 MGLL (0.37) ALDH1A1
SCHEMBL14634320 0.79 RORC (0.40) ALDH1A1MAPTSMN1; SMN2GAAMEN1
SCHEMBL6459702 0.79 PTGDR2 (0.41) ALDH1A1LMNAMAPTPOLBERN1
SCHEMBL2562538 0.78 ERN1 (0.46) ALDH1A1MAPTPOLBERN1MEN1

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
US-6855842-B1 Intermediates for making a bezofuran or benzothiophene derivative nitrated in position 5 and uses thereof RHODIA CHIMIE (FR) 2005-02-15 US claimed
US-7312345-B2 Process for the preparation of dronedarone ISP INVESTMENTS INC. (US) 2007-12-25 US disclosed
US-20050113596-A1 Nitrating a 2-(2-formylphenoxy) or 2-(2-formylphenylsulfido) alkyl ester or alkoic acid in the presence of sulfuric acid SHASUN PHARMA SOLUTIONS, INC. 2005-05-26 US disclosed
US-6855842-B1 Intermediates for making a bezofuran or benzothiophene derivative nitrated in position 5 and uses thereof RHODIA CHIMIE (FR) 2005-02-15 US disclosed
US-6555697-B1 Cyclizing a 1-(2-carboxyethyloxy or thio-),2-formylbenzene in the presence of an efficient amount of a carbonate base in a medium comprising a carboxylic acid anhydride; intermediate for 2-n-butyl-5-nitrobenzofuran RHODIA CHIMIE (FR) 2003-04-29 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 (1 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-20050113596-A1 Nitrating a 2-(2-formylphenoxy) or 2-(2-formylphenylsulfido) alkyl ester or alkoic acid in the presence of sulfuric acid SULT1A1, SULT1E1, FPR1 ALDH1A1 111/4885LMNA 3643/4885MAPT 4488/4885

“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.