SCHEMBL13061697

SCHEMBL13061697

COC(=O)CCCCN(CCc1ccccc1OCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 2/20 0.37
EGFR P00533 1/20 0.36
KMT2A Q03164 2/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT1 Q99873 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL13009644 0.97 NPSR1 (0.46) NPSR1RAB9AMAPTL3MBTL1LMNA
SCHEMBL13009860 0.93 MAPT (0.40) RAB9AMAPTL3MBTL1LMNAPTGER1
SCHEMBL13009638 0.92 PTGER1 (0.44) RAB9AMAPTL3MBTL1LMNAPTGER1
SCHEMBL13009843 0.91 MAPT (0.43) NPSR1RAB9AMAPTL3MBTL1LMNA
SCHEMBL13009808 0.90 PTGER1 (0.42) RAB9AMAPTL3MBTL1LMNAPTGER1
SCHEMBL13009543 0.90 SLC1A5 (0.42) RAB9AMAPTL3MBTL1LMNAPTGER1
SCHEMBL13009643 0.89 MAPT (0.43) RAB9AMAPTL3MBTL1LMNAPTGER1
SCHEMBL13009864 0.89 BCHE (0.42) RAB9AMAPTL3MBTL1LMNAPTGER1
SCHEMBL13009658 0.88 LMNA (0.45) NPSR1RAB9AMAPTL3MBTL1LMNA
SCHEMBL2993035 0.88 PTGER1 (0.49) RAB9AMAPTL3MBTL1LMNAPTGER1

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-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 NPSR1 1885/4885RAB9A 3104/4885MAPT 4435/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS NPSR1 1885/4885RAB9A 3104/4885MAPT 4435/4885

“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.