SCHEMBL1327243

SCHEMBL1327243

CCOc1cc(-c2c(CC)cccc2CC)nc(C)c1COc1cccc(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.47
VDR P11473 2/20 0.47
ESR1 P03372 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
RXRA P19793 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
ESR2 Q92731 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
NR1H4 Q96RI1 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1327010 0.90 PPARG (0.47) PPARGVDRPPARDCYSLTR1NR1H4
SCHEMBL1328338 0.82 C5AR1 (0.41) ALDH1A1TSHRLMNAHPGDKMT2A
SCHEMBL1327956 0.79 ALDH1A1 (0.53) PPARGVDRESR1THRATHRB
SCHEMBL1329169 0.78 MEN1 (0.39) PPARGVDRESR1THRATHRB
SCHEMBL1327995 0.78 C5AR1 (0.40) L3MBTL1MAPTNPSR1
SCHEMBL1327287 0.77 BRD4 (0.39) CYSLTR1ALDH1A1LMNAHPGDKMT2A
SCHEMBL1330008 0.77 C5AR1 (0.44)
SCHEMBL1327672 0.77 C5AR1 (0.39) PPARGCYSLTR1ALDH1A1LMNAHPGD
SCHEMBL6516516 0.77 ALDH1A1 (0.41) THRATHRBCYSLTR1NR1H4ALDH1A1
SCHEMBL1327363 0.76 C5AR1 (0.40) L3MBTL1MAPTNPSR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578742-B1 PROCESS FOR PREPARING OPTICALLY PURE ACTIVE COMPOUNDS NYCOMED GMBH (DE) 2012-10-17 EP claimed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US claimed
EP-1575941-A2 PROCESS FOR PREPARING (S)-PANTOPRAZOLE Altana Pharma AG (DE) 2005-09-21 EP claimed
WO-2004052881-A2 PROCESS FOR PREPARING (S)-PANTOPRAZOLE ALTANA PHARMA AG (DE) 2004-06-24 WO claimed
EP-1565452-B1 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NOVARTIS INT PHARM LTD (BM) 2012-04-04 EP disclosed
EP-1565452-B1 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NOVARTIS INT PHARM LTD (BM) 2012-04-04 EP disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
EP-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 EP disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 WO 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 (3 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 PPARG 1440/4885VDR 292/4885ESR1 579/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 PPARG 1440/4885VDR 292/4885ESR1 579/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 PPARG 1485/4885VDR 259/4885ESR1 831/4885

“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.