SCHEMBL13010025

SCHEMBL13010025

COc1cc(CN(CCCCC(=O)O)CCc2ccccc2OCc2ccc(-c3ccccc3)cc2)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGER1 P34995 2/20 0.43
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
PTGER2 P43116 2/20 0.43
BCHE P06276 10/20 0.42
RAF1 P04049 1/20 0.41
MAP2K1 Q02750 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT1 Q99873 1/20 0.41
ACHE P22303 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
SCHEMBL13010011 0.93 FFAR4 (0.46) MEN1KMT2APTGER1PTGER4PTGER3
SCHEMBL13207119 0.87 MEN1 (0.42) MEN1KMT2ABCHERAF1MAP2K1
SCHEMBL13010018 0.86 PTGER4 (0.45) PTGER1PTGER4PTGER3PTGER2BCHE
SCHEMBL13010031 0.85 PTGER1 (0.46) MEN1KMT2APTGER1PTGER4PTGER3
SCHEMBL13010005 0.85 PTGER1 (0.49) MEN1KMT2APTGER1PTGER4PTGER3
SCHEMBL13009661 0.85 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2CARM1
SCHEMBL13010001 0.84 PTGER4 (0.52) PTGER1PTGER4PTGER3PTGER2CARM1
SCHEMBL13009992 0.84 MEN1 (0.39) MEN1KMT2ABCHERAF1MAP2K1
SCHEMBL13009719 0.84 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2CARM1
SCHEMBL13010016 0.84 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2CARM1

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 MEN1 4572/4885KMT2A 3700/4885PTGER1 27/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS MEN1 4572/4885KMT2A 3700/4885PTGER1 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.