SCHEMBL13009804

SCHEMBL13009804

CCOC(=O)c1ccc(OCCN(CCc2ccccc2OCc2ccc(CC)cc2)Cc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 6/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
BLM P54132 1/20 0.41
BCHE P06276 2/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL13009839 0.96 LMNA (0.45) L3MBTL1TDP1MAPTRAB9ALMNA
SCHEMBL13009822 0.96 ABCB1 (0.44) L3MBTL1TDP1MAPTRAB9ALMNA
SCHEMBL13009833 0.96 LPAR1 (0.46) L3MBTL1TDP1MAPTRAB9ALMNA
SCHEMBL13009827 0.95 L3MBTL1 (0.45) L3MBTL1TDP1MAPTRAB9ALMNA
SCHEMBL13009805 0.93 LPAR1 (0.46) L3MBTL1TDP1MAPTRAB9ALMNA
SCHEMBL13009836 0.93 L3MBTL1 (0.41) L3MBTL1TDP1MAPTRAB9ALMNA
SCHEMBL13207088 0.90 TDP1 (0.47) L3MBTL1TDP1MAPTRAB9ALMNA
SCHEMBL13009796 0.89 MAPT (0.40) L3MBTL1TDP1MAPTRAB9ALMNA
SCHEMBL4947963 0.89 TDP1 (0.46) L3MBTL1TDP1MAPTRAB9ALMNA
SCHEMBL13009818 0.87 RXRA (0.54) L3MBTL1KMT2AMEN1BCHE

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 L3MBTL1 4760/4885TDP1 3153/4885MAPT 4435/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS L3MBTL1 4760/4885TDP1 3153/4885MAPT 4435/4885

“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.