SCHEMBL4142686

SCHEMBL4142686

CC(C)C(=O)C(=Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
LMNA P02545 3/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 3/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CA12 O43570 1/20 0.40
AKR1B10 O60218 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
SCHEMBL4142682 1.00 NR1H4 (0.56) NR1H4KMT2AMEN1LMNAALDH1A1
SCHEMBL13885725 0.90 NR1H4 (0.53) NR1H4KMT2AMEN1LMNAALDH1A1
SCHEMBL3976603 0.90 NR1H4 (0.53) NR1H4KMT2AMEN1LMNAALDH1A1
SCHEMBL3976602 0.90 NR1H4 (0.53) NR1H4KMT2AMEN1LMNAALDH1A1
SCHEMBL1633388 0.85 MEN1 (0.79) NR1H4KMT2AMEN1LMNAALDH1A1
SCHEMBL1634878 0.85 MEN1 (0.79) NR1H4KMT2AMEN1LMNAALDH1A1
SCHEMBL29282944 0.82 NR1H4 (0.67) NR1H4KMT2AMEN1LMNAALDH1A1
SCHEMBL306311 0.81 ALDH1A1 (0.58) KMT2ALMNAALDH1A1MAPK1MAPT
SCHEMBL915484 0.80 MEN1 (0.51) KMT2AMEN1MAPTNPSR1
SCHEMBL915483 0.80 MEN1 (0.51) KMT2AMEN1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209612-A1 PROCESS FOR THE PREPARATION OF ATORVASTATIN RANBAXY LABORATORIES LIMITED (IN) 2009-08-20 US claimed
EP-1756053-A1 PROCESS FOR THE PREPARATION OF ATORVASTATIN Ranbaxy Laboratories Limited (IN) 2007-02-28 EP claimed
WO-2005118536-A1 PROCESS FOR THE PREPARATION OF ATORVASTATIN RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 WO claimed
US-20090209612-A1 PROCESS FOR THE PREPARATION OF ATORVASTATIN RANBAXY LABORATORIES LIMITED (IN) 2009-08-20 US disclosed
US-20070149605-A1 Substituted pyrrole derivatives as hmg-coa reductase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2007-06-28 US disclosed
EP-1756053-A1 PROCESS FOR THE PREPARATION OF ATORVASTATIN Ranbaxy Laboratories Limited (IN) 2007-02-28 EP disclosed
WO-2006110918-A1 PYRROLE COMPOUNDS AND USES THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2006-10-19 WO disclosed
EP-1643988-A1 SUBSTITUTED PYRROLE DERIVATIVES AS HMG-COA REDUCTASE INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2006-04-12 EP disclosed
WO-2005118536-A1 PROCESS FOR THE PREPARATION OF ATORVASTATIN RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 WO disclosed
WO-2004105752-A1 SUBSTITUTED PYRROLE DERIVATIVES AS HMG-COA REDUCTASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2004-12-09 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 (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-20070149605-A1 Substituted pyrrole derivatives as hmg-coa reductase inhibitors HMGCR, CYP46A1, GRHPR NR1H4 100/4885KMT2A 2565/4885MEN1 2619/4885
US-20090209612-A1 PROCESS FOR THE PREPARATION OF ATORVASTATIN HMGCR, DHCR7, LDLR NR1H4 71/4885KMT2A 3482/4885MEN1 4193/4885

“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.