SCHEMBL1550138

SCHEMBL1550138

CCOC(=O)COc1ccc([N+](=O)[O-])cc1CCCOC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
ALDH1A1 P00352 8/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 2/20 0.45
MAPT P10636 6/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPK1 P28482 2/20 0.43
TLR9 Q9NR96 2/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NTSR1 P30989 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1550181 0.82 ALDH1A1 (0.44) POLBALDH1A1TDP1KMT2AMAPT
SCHEMBL1549137 0.81 MAPK1 (0.56) POLBALDH1A1TDP1KMT2AMAPT
SCHEMBL3536740 0.80 ALDH1A1 (0.60) POLBALDH1A1KMT2AMAPTRXFP1
SCHEMBL20042055 0.80 ALDH1A1 (0.55) POLBALDH1A1TDP1KMT2AMAPT
SCHEMBL1549348 0.80 ALDH1A1 (0.43) ALDH1A1TDP1KMT2AMAPK1MEN1
SCHEMBL8865199 0.80 MAPT (0.55) POLBALDH1A1TDP1KMT2AMAPT
SCHEMBL13215153 0.78 POLB (0.57) POLBALDH1A1KMT2AMAPTRXFP1
SCHEMBL27456246 0.78 MAPT (0.50) POLBALDH1A1KMT2AMAPTRXFP1
SCHEMBL1549119 0.78 PPARD (0.52) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL3535207 0.77 MAPT (0.60) POLBALDH1A1TDP1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314576-A1 Phenyl derivatives as PPAR agonists F.HOFFMANN-LA ROCHE AG (CH) 2011-04-27 EP disclosed
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
US-7115611-B2 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 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-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals PPARA, PPARD, PPARG POLB 2146/4885ALDH1A1 464/4885TDP1 3547/4885
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG POLB 2311/4885ALDH1A1 886/4885TDP1 3452/4885

“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.