SCHEMBL2007410

SCHEMBL2007410

C=CCOc1cc(OCC(=O)OCC)ccc1C(=O)CN1Cc2cc(C#N)ccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.41
ALK Q9UM73 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 7/20 0.37
HPGD P15428 6/20 0.37
KDM4E B2RXH2 5/20 0.37
HSD17B10 Q99714 5/20 0.37
GAA P10253 3/20 0.35
CASP1 P29466 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL2011573 0.93 ALK (0.44) AOC3ALKL3MBTL1ALDH1A1HPGD
SCHEMBL2013655 0.92 ALK (0.44) AOC3ALKL3MBTL1ALDH1A1HPGD
SCHEMBL2010169 0.90 L3MBTL1 (0.46) AOC3ALKL3MBTL1ALDH1A1HPGD
SCHEMBL2007456 0.90 ALK (0.42) AOC3ALKL3MBTL1ALDH1A1HPGD
SCHEMBL2013236 0.87 HPGD (0.45) AOC3ALKL3MBTL1ALDH1A1HPGD
SCHEMBL2012555 0.85 ALK (0.44) AOC3ALKL3MBTL1ALDH1A1HPGD
SCHEMBL2012422 0.85 AOC3 (0.43) AOC3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2012689 0.84 ALK (0.45) AOC3ALKL3MBTL1ALDH1A1GAA
SCHEMBL2011367 0.84 AOC3 (0.40) AOC3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2013747 0.81 GABRA1 (0.39) AOC3ALKL3MBTL1ALDH1A1HPGD

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 AOC3 3283/4885ALK 530/4885L3MBTL1 4640/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 AOC3 3283/4885ALK 530/4885L3MBTL1 4640/4885

“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.