SCHEMBL2997633

SCHEMBL2997633

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC1A5 Q15758 1/20 0.40
NPC1 O15118 2/20 0.39
CARM1 Q86X55 2/20 0.39
PRMT1 Q99873 2/20 0.39
ATM Q13315 1/20 0.39
SMPD1 P17405 1/20 0.38
TP53 P04637 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
ACHE P22303 1/20 0.38
PDE6D O43924 1/20 0.37
DRD2 P14416 1/20 0.37
TBXA2R P21731 1/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL13009809 0.94 MAPT (0.44) RAB9AMAPTLMNAL3MBTL1TP53
SCHEMBL13009701 0.94 MAPT (0.43) RAB9AMAPTLMNAL3MBTL1CARM1
SCHEMBL13009738 0.94 MAPT (0.43) RAB9AMAPTLMNAL3MBTL1SLC1A5
SCHEMBL13009543 0.94 SLC1A5 (0.42) RAB9AMAPTLMNAL3MBTL1SLC1A5
SCHEMBL13009775 0.93 DHFR (0.44) RAB9AMAPTLMNAL3MBTL1SLC1A5
SCHEMBL13009801 0.93 CETP (0.44) RAB9AMAPTLMNAL3MBTL1SLC1A5
SCHEMBL13009752 0.92 MAPT (0.42) RAB9AMAPTLMNAL3MBTL1NPC1
SCHEMBL13009784 0.92 CNR1 (0.39) RAB9AMAPTLMNAL3MBTL1SLC1A5
SCHEMBL13009787 0.92 LMNA (0.38) RAB9AMAPTLMNAL3MBTL1TP53
SCHEMBL13009647 0.91 SLC1A5 (0.44) RAB9AMAPTLMNAL3MBTL1SLC1A5

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 14 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-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-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
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7087644-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
EP-1216225-B1 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-07-06 EP 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 (3 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 RAB9A 3104/4885MAPT 4435/4885LMNA 1332/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS RAB9A 3104/4885MAPT 4435/4885LMNA 1332/4885
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties DDC, AADAT, PTGIS RAB9A 3104/4885MAPT 4435/4885LMNA 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.