SCHEMBL2013386

SCHEMBL2013386

CCOC(=O)COc1ccc(C(C)=O)c(OCC(=O)OCC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
ALDH1A1 P00352 5/20 0.56
CYP3A4 P08684 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MAPT P10636 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
LMNA P02545 1/20 0.56
NTSR1 P30989 1/20 0.56
KDM4E B2RXH2 5/20 0.55
GAA P10253 4/20 0.55
HSD17B10 Q99714 3/20 0.55
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48

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
SCHEMBL2226744 0.91 PTPN1 (0.52) HPGDALDH1A1CYP3A4NPSR1MAPT
SCHEMBL5801147 0.90 HPGD (0.60) HPGDALDH1A1CYP3A4NPSR1MAPT
SCHEMBL4269174 0.90 GAA (0.53) HPGDALDH1A1CYP3A4NPSR1MAPT
SCHEMBL7468850 0.89 HPGD (0.50) HPGDALDH1A1CYP3A4NPSR1MAPT
SCHEMBL10540515 0.89 HPGD (0.55) HPGDALDH1A1CYP3A4NPSR1MAPT
SCHEMBL10689689 0.88 HPGD (0.49) HPGDALDH1A1CYP3A4NPSR1MAPT
SCHEMBL10540247 0.88 HPGD (0.46) HPGDALDH1A1CYP3A4NPSR1MAPT
SCHEMBL10544493 0.88 ALDH1A1 (0.49) HPGDALDH1A1CYP3A4NPSR1MAPT
SCHEMBL10544448 0.88 HPGD (0.51) HPGDALDH1A1CYP3A4NPSR1MAPT
SCHEMBL13968771 0.88 GAA (0.49) HPGDALDH1A1CYP3A4NPSR1MAPT

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 4 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

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 1551/4885ALDH1A1 2548/4885CYP3A4 577/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 HPGD 1551/4885ALDH1A1 2548/4885CYP3A4 577/4885

“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.