SCHEMBL13010018

SCHEMBL13010018

O=C(O)CCCCN(CCc1ccccc1OCc1ccc(-c2ccccc2)cc1)Cc1ccccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.45
PTGER3 P43115 5/20 0.45
PTGER1 P34995 4/20 0.45
PTGER2 P43116 4/20 0.45
FFAR1 O14842 1/20 0.43
CARM1 Q86X55 2/20 0.43
PRMT1 Q99873 2/20 0.43
SLC1A5 Q15758 3/20 0.42
BCHE P06276 5/20 0.40
ALOX5 P09917 1/20 0.40
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 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
SCHEMBL30298901 0.93 PTGER1 (0.51) PTGER4PTGER3PTGER1PTGER2SLC1A5
SCHEMBL13010004 0.91 CARM1 (0.43) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL13010001 0.90 PTGER4 (0.52) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL13009661 0.88 PTGER1 (0.55) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL13009719 0.87 PTGER1 (0.54) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL13010016 0.87 PTGER1 (0.46) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL13010005 0.87 PTGER1 (0.49) PTGER4PTGER3PTGER1PTGER2TP53
SCHEMBL13010025 0.86 MEN1 (0.44) PTGER4PTGER3PTGER1PTGER2CARM1
SCHEMBL13010031 0.86 PTGER1 (0.46) PTGER4PTGER3PTGER1PTGER2CARM1
SCHEMBL13009802 0.84 PTGER1 (0.53) PTGER4PTGER3PTGER1PTGER2FFAR1

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

“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.