SCHEMBL2014031

SCHEMBL2014031

CCCOc1cc(OCC(=O)OCC)ccc1C(=O)CN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
GAA P10253 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NTSR1 P30989 1/20 0.46
CYP2C19 P33261 1/20 0.46
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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 0.92 HPGD (0.53) HPGDGAAKDM4EHSD17B10ALDH1A1
SCHEMBL2013225 0.89 HPGD (0.50) HPGDGAAKDM4EHSD17B10ALDH1A1
SCHEMBL2004229 0.83 HPGD (0.65) HPGDGAAKDM4EHSD17B10ALDH1A1
SCHEMBL2010800 0.81 HPGD (0.55) HPGDGAAKDM4EHSD17B10ALDH1A1
SCHEMBL2014181 0.79 HPGD (0.42) HPGDGAAKDM4EHSD17B10ALDH1A1
SCHEMBL9080295 0.79 HPGD (0.53) HPGDGAAKDM4EHSD17B10ALDH1A1
SCHEMBL7476409 0.78 HPGD (0.47) HPGDGAAKDM4EHSD17B10ALDH1A1
SCHEMBL2013386 0.77 HPGD (0.56) HPGDGAAKDM4EHSD17B10ALDH1A1
SCHEMBL8603637 0.76 HPGD (0.50) HPGDGAAKDM4EHSD17B10ALDH1A1
SCHEMBL7468850 0.76 HPGD (0.50) HPGDGAAKDM4EHSD17B10ALDH1A1

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.