SCHEMBL13009641

SCHEMBL13009641

COC(=O)CCCCN(CCc1ccccc1OCc1ccc(Oc2ccc(Cl)cc2)cc1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
SLC1A5 Q15758 1/20 0.41
CARM1 Q86X55 2/20 0.40
PRMT1 Q99873 2/20 0.40
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 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
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 3/20 0.38
PKM P14618 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL13009647 0.96 SLC1A5 (0.44) NPC1RAB9ALPAR1LPAR5SLC1A5
SCHEMBL13009543 0.93 SLC1A5 (0.42) NPC1RAB9ASLC1A5CARM1PRMT1
SCHEMBL13009651 0.91 ABCB1 (0.46) RAB9ALPAR1LPAR5MAPTLMNA
SCHEMBL13009650 0.90 BCHE (0.47) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL13009764 0.90 LPAR1 (0.41) NPC1RAB9ALPAR1LPAR5MAPT
SCHEMBL13009767 0.90 MEN1 (0.42) RAB9ALPAR1LPAR5MAPTLMNA
SCHEMBL13009643 0.89 MAPT (0.43) RAB9ALPAR1LPAR5MAPTLMNA
SCHEMBL13009761 0.88 MAPT (0.45) RAB9AMAPTLMNAL3MBTL1PTGER1
SCHEMBL2993035 0.88 PTGER1 (0.49) RAB9AMAPTLMNAL3MBTL1PTGER1
SCHEMBL13009658 0.88 LMNA (0.45) NPC1RAB9ALPAR1LPAR5SLC1A5

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 NPC1 4206/4885RAB9A 3104/4885LPAR1 960/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS NPC1 4206/4885RAB9A 3104/4885LPAR1 960/4885

“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.