SCHEMBL2982853

SCHEMBL2982853

CCOC(=O)CCCCN(CCc1ccccc1OC)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.47
BCHE P06276 8/20 0.47
MBTPS1 Q14703 3/20 0.47
F10 P00742 1/20 0.47
PLAU P00749 1/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 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
SCHEMBL2986841 0.90 BCHE (0.44) ACHEBCHEMBTPS1F10PLAU
SCHEMBL13009803 0.90 BCHE (0.42) ACHEBCHEMBTPS1F10PLAU
SCHEMBL2988749 0.90 PDE6D (0.45) ACHEBCHEMBTPS1F10PLAU
SCHEMBL2997165 0.89 CYP4F2 (0.46) ACHEBCHELPAR1LPAR5MEN1
SCHEMBL13009695 0.89 BCHE (0.45) ACHEBCHELPAR1LPAR5
SCHEMBL13009700 0.89 BCHE (0.45) ACHEBCHELPAR1LPAR5
SCHEMBL13009892 0.89 BCHE (0.45) ACHEBCHELPAR1LPAR5
SCHEMBL13009781 0.88 MAPT (0.41) ACHEBCHEMBTPS1F10PLAU
SCHEMBL13009809 0.88 MAPT (0.44) ACHEBCHEMBTPS1F10PLAU
SCHEMBL2995656 0.88 LMNA (0.44) ACHEBCHEMBTPS1F10PLAU

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 17 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-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 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-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 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
EP-1216225-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019780-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 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 (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 ACHE 4159/4885BCHE 2440/4885MBTPS1 3882/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS ACHE 4159/4885BCHE 2440/4885MBTPS1 3882/4885
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties DDC, AADAT, PTGIS ACHE 4159/4885BCHE 2440/4885MBTPS1 3882/4885

“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.