SCHEMBL2012694

SCHEMBL2012694

CCOC(=O)COc1ccc(C(=O)CN)cc1OCC(=O)OCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 2/20 0.44
ESR1 P03372 1/20 0.44
ABCB1 P08183 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.42
PABPC1 P11940 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
Hydrochloric Acid SCHEMBL8832741 0.94 KMT2A (0.55) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
Hydrochloric Acid SCHEMBL8836093 0.90 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL2011344 0.88 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL2009931 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL2009704 0.85 L3MBTL1 (0.52) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
Bromide SCHEMBL5787146 0.84 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL2009094 0.84 ESR1 (0.42) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL2013411 0.84 NPSR1 (0.42) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL2010422 0.84 KMT2A (0.66) ALDH1A1KMT2AMEN1NPSR1MAPK1
SCHEMBL2010748 0.83 NPC1 (0.51) ALDH1A1KMT2AMEN1L3MBTL1MAPK1

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 ALDH1A1 2548/4885KMT2A 4561/4885MEN1 4472/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ALDH1A1 2548/4885KMT2A 4561/4885MEN1 4472/4885

“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.