SCHEMBL13010011

SCHEMBL13010011

COC(=O)c1ccc(CN(CCCCC(=O)O)CCc2ccccc2OCc2ccc(-c3ccccc3)cc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.46
PTGER1 P34995 2/20 0.44
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BCHE P06276 8/20 0.41
ACHE P22303 3/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT1 Q99873 1/20 0.40
SMPD1 P17405 1/20 0.40
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 1/20 0.40
FFAR1 O14842 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL13207119 0.94 MEN1 (0.42) FFAR4MEN1KMT2ABCHEACHE
SCHEMBL13010025 0.93 MEN1 (0.44) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL13009992 0.91 MEN1 (0.39) FFAR4MEN1KMT2ABCHEACHE
SCHEMBL13010004 0.89 CARM1 (0.43) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL13010015 0.87 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL6239198 0.86 SMPD1 (0.46) PTGER1PTGER4PTGER3PTGER2MEN1
Hydrochloric Acid SCHEMBL2994374 0.85 SMPD1 (0.45) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL13010013 0.84 CARM1 (0.43) PTGER1PTGER4PTGER3PTGER2BCHE
SCHEMBL13009638 0.83 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL13010001 0.83 PTGER4 (0.52) 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 4 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-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 (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-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS FFAR4 211/4885PTGER1 27/4885PTGER4 21/4885

“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.