SCHEMBL13009688

SCHEMBL13009688

COC(=O)CCN(CCc1ccccc1OCCCCCc1ccccc1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
FAAH O00519 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40

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
SCHEMBL13009622 0.95 FAAH (0.42) PTGER1PTGER4PTGER3PTGER2FAAH
SCHEMBL13009527 0.95 FAAH (0.42) PTGER1PTGER4PTGER3PTGER2FAAH
SCHEMBL13009623 0.94 PTGER1 (0.42) PTGER1PTGER4PTGER3PTGER2FAAH
SCHEMBL13009685 0.89 ALOX5 (0.46) PTGER1PTGER4PTGER3PTGER2LPAR1
SCHEMBL13009683 0.88 ALOX5 (0.43) FAAHTDP1
SCHEMBL13009927 0.87 BCHE (0.41) L3MBTL1TDP1LPAR1LPAR5
SCHEMBL13009717 0.85 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2LPAR1
SCHEMBL13009926 0.85 BCHE (0.41) L3MBTL1TDP1LPAR1LPAR5
SCHEMBL2993035 0.84 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2L3MBTL1
SCHEMBL13009691 0.84 TDP1 (0.43) PTGER1PTGER4PTGER3PTGER2L3MBTL1

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 PTGER1 27/4885PTGER4 21/4885PTGER3 48/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS PTGER1 27/4885PTGER4 21/4885PTGER3 48/4885

“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.