SCHEMBL5233113

SCHEMBL5233113

CCOC(=O)CCC(O)CO

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
DUSP3 P51452 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
DGKA P23743 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TRPA1 O75762 1/20 0.41
FAAH O00519 2/20 0.40
THRB P10828 1/20 0.37

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
SCHEMBL6344872 0.85 L3MBTL1 (0.50) KMT2AKDM4EDUSP3MEN1LMNA
SCHEMBL4524831 0.85 KMT2A (0.60) KMT2AKDM4EDUSP3MEN1LMNA
SCHEMBL1664267 0.85 KMT2A (0.60) KMT2AKDM4EDUSP3MEN1LMNA
SCHEMBL6861005 0.85 L3MBTL1 (0.58) KMT2AKDM4ELMNAL3MBTL1POLB
SCHEMBL1665345 0.83 KMT2A (0.58) KMT2AKDM4EDUSP3MEN1LMNA
SCHEMBL25186835 0.83 L3MBTL1 (0.49) KMT2AKDM4EDUSP3MEN1LMNA
SCHEMBL15153932 0.83 L3MBTL1 (0.49) KMT2AKDM4EDUSP3MEN1LMNA
SCHEMBL5000141 0.81 L3MBTL1 (0.50) KMT2AKDM4EDUSP3MEN1LMNA
Glycerin SCHEMBL442626 0.80 LMNA (0.46) KMT2AKDM4EDUSP3MEN1LMNA
SCHEMBL2252527 0.80 L3MBTL1 (0.46) KMT2AKDM4EDUSP3MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
CN-1951939-A Novel pyrrole derivatives as pharmaceutical agents LILLY CO ELI (US) 2007-04-25 CN disclosed
CN-1269820-C Novel pyrrole derivatives as medicaments LILLY CO ELI (US) 2006-08-16 CN disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
CN-1511157-A Novel pyrrole derivatives as medicaments 2004-07-07 CN disclosed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 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 (1 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-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 KMT2A 4781/4885KDM4E 1699/4885DUSP3 1032/4885

“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.