SCHEMBL13009795

SCHEMBL13009795

CCOC(=O)CCCCN(CCc1ccccc1OCc1ccc(-c2cccc(N)c2)cc1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHFR P00374 2/20 0.38
NR1H4 Q96RI1 1/20 0.36
CETP P11597 1/20 0.36
APAF1 O14727 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 2/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT1 Q99873 1/20 0.35
ACHE P22303 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
DRD2 P14416 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL13009794 0.93 MAPT (0.42) MAPTRAB9ALMNAL3MBTL1DHFR
SCHEMBL13009701 0.92 MAPT (0.43) MAPTRAB9ALMNAL3MBTL1DHFR
SCHEMBL13009775 0.91 DHFR (0.44) MAPTRAB9ALMNAL3MBTL1DHFR
SCHEMBL13009809 0.91 MAPT (0.44) MAPTRAB9ALMNAL3MBTL1CETP
SCHEMBL13009738 0.90 MAPT (0.43) MAPTRAB9ALMNAL3MBTL1CETP
SCHEMBL13009801 0.89 CETP (0.44) MAPTRAB9ALMNAL3MBTL1CETP
SCHEMBL13009793 0.89 MAPT (0.40) MAPTRAB9ALMNAL3MBTL1NR1H4
SCHEMBL13009785 0.89 RAB9A (0.40) MAPTRAB9ALMNAL3MBTL1NR1H4
SCHEMBL2997633 0.89 RAB9A (0.42) MAPTRAB9ALMNAL3MBTL1DHFR
SCHEMBL13009752 0.89 MAPT (0.42) MAPTRAB9ALMNAL3MBTL1KMT2A

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 MAPT 4435/4885RAB9A 3104/4885LMNA 1332/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS MAPT 4435/4885RAB9A 3104/4885LMNA 1332/4885

“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.