SCHEMBL13010004

SCHEMBL13010004

COC(=O)c1ccccc1CN(CCCCC(=O)O)CCc1ccccc1OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.43
PRMT1 Q99873 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
BCHE P06276 9/20 0.42
ACHE P22303 3/20 0.42
SLC1A5 Q15758 1/20 0.41
TSPO P30536 2/20 0.41
KDM4E B2RXH2 1/20 0.41
FFAR1 O14842 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
SCHEMBL13010018 0.91 PTGER4 (0.45) CARM1PRMT1PTGER1PTGER4PTGER3
SCHEMBL13009982 0.90 CARM1 (0.40) CARM1PRMT1PTGER1PTGER4PTGER3
SCHEMBL13010015 0.89 PTGER1 (0.44) CARM1PRMT1PTGER1PTGER4PTGER3
SCHEMBL13010011 0.89 FFAR4 (0.46) CARM1PRMT1FFAR4PTGER1PTGER4
SCHEMBL13010001 0.86 PTGER4 (0.52) CARM1PRMT1PTGER1PTGER4PTGER3
SCHEMBL6239198 0.86 SMPD1 (0.46) CARM1PRMT1PTGER1PTGER4PTGER3
Hydrochloric Acid SCHEMBL2994374 0.86 SMPD1 (0.45) CARM1PRMT1PTGER1PTGER4PTGER3
SCHEMBL13010013 0.85 CARM1 (0.43) CARM1PRMT1PTGER1PTGER4PTGER3
SCHEMBL13010007 0.85 PTGER1 (0.41) CARM1PRMT1PTGER1PTGER4PTGER3
SCHEMBL13010016 0.84 PTGER1 (0.46) CARM1PRMT1PTGER1PTGER4PTGER3

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 CARM1 2851/4885PRMT1 1880/4885FFAR4 211/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS CARM1 2851/4885PRMT1 1880/4885FFAR4 211/4885

“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.