SCHEMBL2012618

SCHEMBL2012618

CCOC(=O)COc1cc(O)c(C(C)=O)cc1OCC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
CASP3 P42574 1/20 0.52
CASP7 P55210 1/20 0.52
CASP9 P55211 1/20 0.52
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
HMGCR P04035 3/20 0.50
HPGD P15428 1/20 0.48
ESR1 P03372 1/20 0.47
PDE5A O76074 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ABCB1 P08183 1/20 0.43
USP2 O75604 1/20 0.43
PTPN1 P18031 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTB4R Q15722 1/20 0.41

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
SCHEMBL28868247 0.91 ESR1 (0.51) HTTCASP3CASP7CASP9CYP3A4
SCHEMBL2007903 0.90 PDE5A (0.53) HTTCASP3CASP7CASP9CYP3A4
SCHEMBL2007639 0.88 GAA (0.49) HTTCASP3CASP7CASP9TSHR
SCHEMBL2007664 0.86 CASP3 (0.46) HTTCASP3CASP7CASP9CYP3A4
SCHEMBL2010455 0.84 HMGCR (0.53) HTTCASP3CASP7CASP9TSHR
SCHEMBL2010341 0.84 HMGCR (0.53) HTTCASP3CASP7CASP9HMGCR
SCHEMBL29184842 0.80 CYP3A4 (0.58) HTTCASP3CASP7CASP9CYP3A4
SCHEMBL2010997 0.79 HPGD (0.70) CYP3A4HPGDALDH1A1
SCHEMBL10545845 0.79 HPGD (0.52) CASP3CASP7CASP9CYP3A4TSHR
SCHEMBL2012737 0.79 HPGD (0.59) CYP3A4HPGDALDH1A1

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 HTT 1966/4885CASP3 4105/4885CASP7 4127/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 HTT 1966/4885CASP3 4105/4885CASP7 4127/4885

“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.