SCHEMBL2013225

SCHEMBL2013225

CCOC(=O)COc1ccc(C(=O)CN)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 6/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NTSR1 P30989 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
ADORA2B P29275 1/20 0.46
THRA P10827 1/20 0.45

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
SCHEMBL2013912 0.93 HPGD (0.53) HPGDGAAKDM4EHSD17B10L3MBTL1
SCHEMBL2014031 0.89 HPGD (0.49) HPGDGAAKDM4EHSD17B10L3MBTL1
SCHEMBL8603637 0.87 HPGD (0.50) HPGDGAAKDM4EHSD17B10L3MBTL1
SCHEMBL2004229 0.84 HPGD (0.65) HPGDGAAKDM4EHSD17B10ALDH1A1
SCHEMBL2010800 0.82 HPGD (0.55) HPGDGAAKDM4EHSD17B10L3MBTL1
SCHEMBL2203127 0.80 SMN1; SMN2 (0.61) HPGDGAAL3MBTL1ALDH1A1MAPT
SCHEMBL9080295 0.80 HPGD (0.53) HPGDGAAKDM4EHSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL29112345 0.79 SMN1; SMN2 (0.60) HPGDGAAL3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5414319 0.79 SMN1; SMN2 (0.60) HPGDGAAL3MBTL1ALDH1A1MAPT
SCHEMBL2008992 0.79 HPGD (0.43) HPGDGAAKDM4EHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US disclosed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 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-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 HPGD 1551/4885GAA 3340/4885KDM4E 4730/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 HPGD 1551/4885GAA 3340/4885KDM4E 4730/4885

“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.