SCHEMBL6239198

SCHEMBL6239198

COC(=O)c1ccc(CN(CCCCC(=O)O)CCc2ccccc2OCc2ccc(-c3ccccc3)cc2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.46
BCHE P06276 10/20 0.44
ACHE P22303 4/20 0.44
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
CARM1 Q86X55 2/20 0.42
PRMT1 Q99873 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
Hydrochloric Acid SCHEMBL2994374 0.99 SMPD1 (0.45) SMPD1BCHEACHEPTGER1PTGER4
SCHEMBL13010031 0.93 PTGER1 (0.46) SMPD1BCHEACHEPTGER1PTGER4
SCHEMBL13009987 0.91 SMPD1 (0.42) SMPD1BCHEACHECARM1PRMT1
SCHEMBL13010015 0.90 PTGER1 (0.44) SMPD1BCHEACHEPTGER1PTGER4
SCHEMBL13010004 0.86 CARM1 (0.43) BCHEACHEPTGER1PTGER4PTGER3
SCHEMBL13010011 0.86 FFAR4 (0.46) SMPD1BCHEACHEPTGER1PTGER4
SCHEMBL13010000 0.85 BCHE (0.38) BCHEACHEPTGER1PTGER4PTGER3
SCHEMBL13010007 0.85 PTGER1 (0.41) SMPD1BCHEACHEPTGER1PTGER4
SCHEMBL13207123 0.84 PTGER1 (0.44) SMPD1BCHEACHEPTGER1PTGER4
SCHEMBL13009638 0.84 PTGER1 (0.44) SMPD1BCHEACHEPTGER1PTGER4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1216225-B1 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-07-06 EP 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 (1 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 SMPD1 668/4885BCHE 2440/4885ACHE 4159/4885

“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.