SCHEMBL13009690

SCHEMBL13009690

CCOC(=O)CNC(=O)CN(CCc1ccccc1OCCCCCc1ccccc1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HCRTR2 O43614 5/20 0.40
ABL1 P00519 1/20 0.39
MAPK1 P28482 1/20 0.39
RIN1 Q13671 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LTA4H P09960 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 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
SCHEMBL2995581 0.88 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EABL1MAPK1
SCHEMBL13009685 0.87 ALOX5 (0.46) LTA4HPTGER1PTGER4PTGER3PTGER2
SCHEMBL13009683 0.86 ALOX5 (0.43) ALDH1A1MAPK1LTA4HKMT2A
SCHEMBL13009694 0.83 PTGER1 (0.49) HCRTR2PTGER1PTGER4PTGER3PTGER2
SCHEMBL13009691 0.83 TDP1 (0.43) MAPK1PTGER1PTGER4PTGER3PTGER2
SCHEMBL13009688 0.82 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2LPAR1
SCHEMBL13009686 0.82 PTGER1 (0.38) ALDH1A1MAPTABL1MAPK1RIN1
SCHEMBL13009622 0.81 FAAH (0.42) PTGER1PTGER4PTGER3PTGER2
SCHEMBL13009527 0.81 FAAH (0.42) PTGER1PTGER4PTGER3PTGER2
SCHEMBL2986841 0.80 BCHE (0.44) LTA4HLPAR1LPAR5

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 ALDH1A1 214/4885MAPT 4435/4885KDM4E 244/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS ALDH1A1 214/4885MAPT 4435/4885KDM4E 244/4885

“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.