SCHEMBL2012142

SCHEMBL2012142

CCOC(=O)COc1cc(O)c(C(=O)CN)cc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
HMGCR P04035 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
PDE5A O76074 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ESR1 P03372 1/20 0.42
ABCB1 P08183 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
SCHEMBL2010341 0.91 HMGCR (0.53) MAPTHPGDALDH1A1MEN1HTT
SCHEMBL2014171 0.87 MAPT (0.44) MAPTHPGDALDH1A1MEN1HTT
SCHEMBL2009367 0.86 GAA (0.46) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL2007903 0.85 PDE5A (0.53) HPGDALDH1A1MEN1HTTKMT2A
SCHEMBL2009036 0.84 ESR1 (0.42) MAPTHPGDALDH1A1MEN1HTT
SCHEMBL2008475 0.84 CASP3 (0.44) MAPTHPGDALDH1A1HMGCRMAPK1
SCHEMBL2011241 0.78 PDE5A (0.43) MAPTHPGDALDH1A1MEN1HTT
SCHEMBL2010800 0.77 HPGD (0.55) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL2004229 0.77 HPGD (0.65) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL2010455 0.77 HMGCR (0.53) MAPTHPGDALDH1A1MEN1HTT

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 MAPT 4727/4885HPGD 1551/4885ALDH1A1 2548/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 MAPT 4727/4885HPGD 1551/4885ALDH1A1 2548/4885

“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.