SCHEMBL2189277

SCHEMBL2189277

CCOC(=O)C(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HPGD P15428 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GLO1 Q04760 1/20 0.50
CACNA1F O60840 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
NPC1 O15118 1/20 0.49
HSP90AA1 P07900 1/20 0.49
PKM P14618 1/20 0.49
CCR6 P51684 1/20 0.49

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
SCHEMBL10532381 1.00 LMNA (0.57) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL1044220 0.87 LMNA (0.56) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL8168821 0.86 LMNA (0.55) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL3727438 0.86 LMNA (0.55) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL14861579 0.85 GLO1 (0.51) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL2353731 0.85 ALDH1A1 (0.53) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL29866817 0.85 LMNA (0.54) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL9308387 0.84 LMNA (0.54) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL10531013 0.84 LMNA (0.54) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL4656875 0.84 LMNA (0.54) LMNANPSR1CYP3A4CYP2D6CYP2C9

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-1486491-B1 CARBOXYLIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-07-13 EP disclosed
US-7351705-B2 Carboxylic acid compounds and a pharmaceutical agent comprising the compound as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
EP-1486491-A1 CARBOXYOIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-15 EP disclosed
US-4839379-A AROMATASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1989-06-13 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-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient UACA, CPA3, HCAR1 LMNA 4217/4885NPSR1 487/4885CYP3A4 3615/4885

“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.