SCHEMBL13010015

SCHEMBL13010015

COC(=O)c1ccc(CN(CCCCC(=O)O)CCc2ccccc2OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.44
PTGER4 P35408 3/20 0.44
PTGER3 P43115 3/20 0.44
PTGER2 P43116 3/20 0.44
CARM1 Q86X55 2/20 0.43
PRMT1 Q99873 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMPD1 P17405 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARD Q03181 2/20 0.40
FFAR1 O14842 1/20 0.40
BCHE P06276 3/20 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
SCHEMBL13207123 0.94 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2CARM1
SCHEMBL13009638 0.94 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2CARM1
SCHEMBL13009661 0.91 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2CARM1
SCHEMBL13009701 0.90 MAPT (0.43) PTGER1PTGER4PTGER3PTGER2CARM1
SCHEMBL13010007 0.90 PTGER1 (0.41) PTGER1PTGER4PTGER3PTGER2CARM1
SCHEMBL6239198 0.90 SMPD1 (0.46) PTGER1PTGER4PTGER3PTGER2CARM1
SCHEMBL13009719 0.90 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2CARM1
SCHEMBL13009810 0.89 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2CARM1
SCHEMBL13010013 0.89 CARM1 (0.43) PTGER1PTGER4PTGER3PTGER2CARM1
SCHEMBL13010004 0.89 CARM1 (0.43) 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 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.