SCHEMBL13010031

SCHEMBL13010031

COc1cc(C(=O)O)ccc1CN(CCCCC(=O)O)CCc1ccccc1OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.46
PTGER4 P35408 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
RXRA P19793 1/20 0.45
SMPD1 P17405 1/20 0.45
BCHE P06276 9/20 0.44
ACHE P22303 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT1 Q99873 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL6239198 0.93 SMPD1 (0.46) PTGER1PTGER4PTGER3PTGER2SMPD1
Hydrochloric Acid SCHEMBL2994374 0.93 SMPD1 (0.45) PTGER1PTGER4PTGER3PTGER2SMPD1
SCHEMBL13009661 0.88 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009719 0.87 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13009772 0.86 PTGER1 (0.50) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL13010005 0.86 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL13010018 0.86 PTGER4 (0.45) PTGER1PTGER4PTGER3PTGER2BCHE
SCHEMBL13010025 0.85 MEN1 (0.44) PTGER1PTGER4PTGER3PTGER2BCHE
SCHEMBL13009987 0.84 SMPD1 (0.42) SMPD1BCHEACHEMEN1KMT2A
SCHEMBL13010015 0.84 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2SMPD1

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.