SCHEMBL1028540

SCHEMBL1028540

CCOC(=O)CN(CC(=O)OCC)c1cc(CCC(=O)OC(C)(C)C)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
CYP4Z1 Q86W10 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
APP P05067 1/20 0.34
EPHX2 P34913 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
AR P10275 1/20 0.32
CASR P41180 1/20 0.32

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
SCHEMBL1028590 0.85 CYP4F2 (0.44) CYP4F2CYP4A11CYP4Z1
SCHEMBL1025939 0.79 ALDH1A1 (0.47) ALDH1A1
SCHEMBL17921312 0.78 CYP4F2 (0.41) CYP4F2CYP4A11APP
SCHEMBL1025346 0.76 CA12 (0.45) ALDH1A1
SCHEMBL9697737 0.72 APP (0.48) CYP4F2CYP4A11APP
SCHEMBL1025911 0.72 NPSR1 (0.41) ALDH1A1MAPT
SCHEMBL1025754 0.72 ALDH1A1 (0.38) CYP4F2CYP4A11ALDH1A1MAPTAR
SCHEMBL10982252 0.72 CYP4F2 (0.50) CYP4F2CYP4A11CYP4Z1HRH3ALDH1A1
SCHEMBL1025928 0.72 ALDH1A1 (0.38) ALDH1A1MAPT
SCHEMBL1024093 0.72 CA12 (0.38) ALDH1A1AR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 CYP4F2 4536/4885CYP4A11 3142/4885CYP4Z1 4158/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 CYP4F2 997/4885CYP4A11 1045/4885CYP4Z1 775/4885

“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.