SCHEMBL2804643

SCHEMBL2804643

CCOC(=O)C(=Cc1ccc(OCc2ccccc2)cc1)OCC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.79
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GSK3B P49841 3/20 0.52
BACE1 P56817 3/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
MAOB P27338 2/20 0.50
PTPN1 P18031 1/20 0.49
ALOX5 P09917 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
PRMT5 O14744 1/20 0.47

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
SCHEMBL2804642 1.00 NR1H4 (0.79) NR1H4ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL2807676 1.00 NR1H4 (0.79) NR1H4ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL5607535 0.93 NR1H4 (0.68) NR1H4ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL5607430 0.93 NR1H4 (0.72) NR1H4ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL5607439 0.93 NR1H4 (0.72) NR1H4ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL5607538 0.93 NR1H4 (0.68) NR1H4ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL5365722 0.92 NR1H4 (0.71) NR1H4ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL5607719 0.92 NR1H4 (0.75) NR1H4ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL5365710 0.92 NR1H4 (0.71) NR1H4ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL5607716 0.92 NR1H4 (0.75) NR1H4ALDH1A1L3MBTL1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 US disclosed
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
WO-2009046606-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2009-04-16 WO disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
WO-2008108602-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2008-09-12 WO disclosed
EP-1945633-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
US-20010034371-A1 New 3-aryl-2-hydroxypropionic acid derivative I ANDERSSON KJELL (SE) 2001-10-25 US disclosed
US-6258850-B1 SULFONATE DERIVATIVES OF ETHER, ACIDS AS DRUGS ASTRAZENECA AB (SE) 2001-07-10 US disclosed
WO-2001040159-A1 NEW PROCESS ASTRAZENECA AB (SE) 2001-06-07 WO disclosed
WO-2001040170-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2001-06-07 WO disclosed
EP-1084102-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS AstraZeneca AB (SE) 2001-03-21 EP disclosed
EP-1084101-A1 NEW 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVE III AstraZeneca AB (SE) 2001-03-21 EP disclosed
EP-1084103-A1 NEW 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVE (I) AstraZeneca AB (SE) 2001-03-21 EP disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
WO-1999062872-A1 NEW 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVE (I) ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
WO-1999062870-A1 NEW 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVE III ASTRAZENECA AB (SE) 1999-12-09 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 (5 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-20010034371-A1 New 3-aryl-2-hydroxypropionic acid derivative I GPR119, IRS1, INSR NR1H4 460/4885ALDH1A1 378/4885L3MBTL1 4669/4885
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PPARA, PPARG, PPARD NR1H4 127/4885ALDH1A1 807/4885L3MBTL1 4667/4885
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS PPARA, PPARD, PPARG NR1H4 71/4885ALDH1A1 838/4885L3MBTL1 3775/4885
US-20080292608-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD NR1H4 61/4885ALDH1A1 1696/4885L3MBTL1 4410/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD NR1H4 61/4885ALDH1A1 1696/4885L3MBTL1 4410/4885

“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.