SCHEMBL13009805

SCHEMBL13009805

CCCCc1ccc(COc2ccccc2CCN(CCOc2ccc(C(=O)OCC)cc2)Cc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
BCHE P06276 6/20 0.44
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
PPARD Q03181 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13009833 0.97 LPAR1 (0.46) LPAR1LPAR5BCHEPTGER1PTGER4
SCHEMBL13009804 0.93 L3MBTL1 (0.44) LPAR1LPAR5BCHEL3MBTL1TDP1
SCHEMBL13009839 0.93 LMNA (0.45) LPAR1LPAR5BCHEL3MBTL1TDP1
SCHEMBL13009822 0.93 ABCB1 (0.44) LPAR1LPAR5BCHEL3MBTL1TDP1
SCHEMBL13009827 0.92 L3MBTL1 (0.45) LPAR1LPAR5BCHEL3MBTL1TDP1
SCHEMBL4947963 0.91 TDP1 (0.46) LPAR1LPAR5BCHEL3MBTL1TDP1
SCHEMBL13009836 0.89 L3MBTL1 (0.41) LPAR1LPAR5BCHEL3MBTL1TDP1
SCHEMBL6436109 0.88 PLA2G4B (0.44) LPAR1LPAR5BCHEPTGER1PTGER4
SCHEMBL13207088 0.88 TDP1 (0.47) LPAR1LPAR5BCHEL3MBTL1TDP1
SCHEMBL13009820 0.87 PTGER1 (0.58) LPAR1LPAR5BCHEPTGER1PTGER4

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 LPAR1 960/4885LPAR5 450/4885BCHE 2440/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS LPAR1 960/4885LPAR5 450/4885BCHE 2440/4885

“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.