SCHEMBL13009685

SCHEMBL13009685

CCOC(=O)CCCN(CCc1ccccc1OCCCCCc1ccccc1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
BCHE P06276 3/20 0.41
LTA4H P09960 1/20 0.40
DHFR P00374 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
ACHE P22303 2/20 0.39

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
SCHEMBL13009683 0.97 ALOX5 (0.43) ALOX5BCHELTA4HACHE
SCHEMBL2986841 0.91 BCHE (0.44) BCHELTA4HDHFRLPAR1LPAR5
SCHEMBL13009695 0.91 BCHE (0.45) BCHELTA4HLPAR1LPAR5ACHE
SCHEMBL13009892 0.91 BCHE (0.45) BCHELTA4HLPAR1LPAR5ACHE
SCHEMBL13009700 0.91 BCHE (0.45) BCHELTA4HLPAR1LPAR5ACHE
SCHEMBL13009527 0.91 FAAH (0.42) BCHEPTGER1PTGER4PTGER3PTGER2
SCHEMBL13009622 0.91 FAAH (0.42) BCHEPTGER1PTGER4PTGER3PTGER2
SCHEMBL13009623 0.90 PTGER1 (0.42) BCHEPTGER1PTGER4PTGER3PTGER2
SCHEMBL13009691 0.89 TDP1 (0.43) BCHEPTGER1PTGER4PTGER3PTGER2
SCHEMBL13009688 0.89 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2LPAR1

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 8 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-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-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

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-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS ALOX5 17/4885BCHE 2440/4885LTA4H 96/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS ALOX5 17/4885BCHE 2440/4885LTA4H 96/4885

“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.