SCHEMBL13009784

SCHEMBL13009784

CCOC(=O)CCCCN(CCc1ccccc1OCc1ccc(-c2ccc(Cl)cc2Cl)cc1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CETP P11597 2/20 0.38
DHFR P00374 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER1 P34995 3/20 0.35
SLC1A5 Q15758 1/20 0.35
PDE6D O43924 1/20 0.34
DUSP3 P51452 1/20 0.34
CYP4F2 P78329 1/20 0.34

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
SCHEMBL2997633 0.92 RAB9A (0.42) MAPTRAB9ALMNAL3MBTL1CETP
SCHEMBL13009775 0.90 DHFR (0.44) MAPTRAB9ALMNAL3MBTL1CETP
SCHEMBL13009787 0.89 LMNA (0.38) MAPTRAB9ALMNAL3MBTL1CETP
SCHEMBL13009781 0.88 MAPT (0.41) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL13009809 0.88 MAPT (0.44) MAPTRAB9ALMNAL3MBTL1CETP
SCHEMBL13009701 0.87 MAPT (0.43) MAPTRAB9ALMNAL3MBTL1CETP
SCHEMBL13009738 0.87 MAPT (0.43) MAPTRAB9ALMNAL3MBTL1CETP
SCHEMBL13009801 0.86 CETP (0.44) MAPTRAB9ALMNAL3MBTL1CETP
SCHEMBL13009752 0.86 MAPT (0.42) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL13009543 0.86 SLC1A5 (0.42) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2

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 CNR1 380/4885MAPT 4435/4885RAB9A 3104/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS CNR1 380/4885MAPT 4435/4885RAB9A 3104/4885

“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.