SCHEMBL13009798

SCHEMBL13009798

O=C(O)c1ccc(CN(CCOc2ccc(C(=O)O)cc2)CCc2ccccc2OCc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
HRH3 Q9Y5N1 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
LPAR1 Q92633 3/20 0.42
LPAR5 Q9H1C0 3/20 0.42
STAT3 P40763 3/20 0.41
MBTPS1 Q14703 1/20 0.41
RXRA P19793 4/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 2/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FOLH1 Q04609 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
SCHEMBL13009739 0.87 PTGER1 (0.48) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL13009796 0.87 MAPT (0.40) HRH3STAT3MBTPS1KMT2ASMN1; SMN2
SCHEMBL13009835 0.85 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2LPAR1
SCHEMBL13009825 0.85 NPC1 (0.54) PTGER1PTGER4PTGER3PTGER2LPAR1
SCHEMBL13009818 0.85 RXRA (0.54) PTGER1PTGER4PTGER3PTGER2HRH3
SCHEMBL13009840 0.85 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2HRH3
SCHEMBL13009829 0.84 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2LPAR1
SCHEMBL13009820 0.82 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2LPAR1
SCHEMBL13009837 0.82 RXRA (0.56) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL13010023 0.79 FFAR4 (0.42) PTGER1PTGER4PTGER3PTGER2MBTPS1

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.