SCHEMBL2996686

SCHEMBL2996686

CCOC(=O)CCCCN(CCc1ccccc1O)Cc1cccc(C(=O)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.45
CYP4F2 P78329 5/20 0.43
CYP4A11 Q02928 5/20 0.43
DRD2 P14416 1/20 0.42
ALOX5 P09917 1/20 0.40
PDE5A O76074 1/20 0.40
TLR7 Q9NYK1 3/20 0.40
BCHE P06276 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
HTR1A P08908 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL13206910 0.93 MEP1B (0.47) MEP1BCYP4F2CYP4A11ALOX5PDE5A
SCHEMBL2997165 0.90 CYP4F2 (0.46) CYP4F2CYP4A11DRD2ALOX5BCHE
SCHEMBL2989766 0.85 CYP4F2 (0.41) CYP4F2CYP4A11DRD2ALOX5BCHE
SCHEMBL2985237 0.83 ALDH1A1 (0.42) CYP4F2CYP4A11BCHEMAPTHTR1A
SCHEMBL2992339 0.82 PDE6D (0.43) CYP4F2CYP4A11ALOX5BCHEMAPT
SCHEMBL13009576 0.81 CYP4F2 (0.43) CYP4F2CYP4A11DRD2ALOX5HTR1A
SCHEMBL6242841 0.80 CYP4F2 (0.44) CYP4F2CYP4A11DRD2ALOX5BCHE
SCHEMBL2982853 0.79 ACHE (0.47) CYP4F2CYP4A11BCHEMAPTALDH1A1
SCHEMBL3768331 0.79 OPRK1 (0.47) DRD2ALOX5BCHEMAPTALDH1A1
SCHEMBL13206909 0.78 MEP1B (0.43) MEP1BDRD2ALOX5BCHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7087644-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
EP-1216225-B1 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-07-06 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 (3 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-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS MEP1B 1336/4885CYP4F2 441/4885CYP4A11 333/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS MEP1B 1336/4885CYP4F2 441/4885CYP4A11 333/4885
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties DDC, AADAT, PTGIS MEP1B 1336/4885CYP4F2 441/4885CYP4A11 333/4885

“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.