SCHEMBL3533533

SCHEMBL3533533

CCOC(=O)COc1ccc(N)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
GAA P10253 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MAPT P10636 1/20 0.62
MAPK1 P28482 2/20 0.55
KMT2A Q03164 3/20 0.52
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
FDPS P14324 1/20 0.48
APP P05067 1/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL2839402 0.94 ALDH1A1 (0.58) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL13215154 0.90 MAPK1 (0.56) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL12144018 0.86 GAA (0.58) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL2719391 0.85 ALDH1A1 (0.68) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL4861445 0.85 MAPK1 (0.57) ALDH1A1GAAKDM4EMAPK1KMT2A
SCHEMBL13215518 0.85 ALDH1A1 (0.49) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL13215179 0.85 MAPK1 (0.52) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL13215365 0.84 KMT2A (0.49) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL3687429 0.84 ALDH1A1 (0.67) ALDH1A1GAAMAPK1KMT2AADORA2A
SCHEMBL13215195 0.83 MAPT (0.58) ALDH1A1KDM4EMAPTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105683182-A Biaryl acetamide compounds and methods of use thereof 埃姆比特生物科学公司 2016-06-15 CN disclosed
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 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
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 EP disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 EP 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 ALDH1A1 464/4885GAA 2594/4885KDM4E 2530/4885
US-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD ALDH1A1 926/4885GAA 788/4885KDM4E 3030/4885

“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.