SCHEMBL13009796

SCHEMBL13009796

CCOC(=O)c1ccc(OCCN(CCc2ccccc2OCc2ccc(C3CCCCC3)cc2)Cc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
APAF1 O14727 1/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 2/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
MBTPS1 Q14703 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
F10 P00742 1/20 0.39
PLAU P00749 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.36
BLM P54132 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL13009804 0.89 L3MBTL1 (0.44) MAPTKMT2AAPAF1MEN1POLB
SCHEMBL13009839 0.89 LMNA (0.45) MAPTKMT2AAPAF1MEN1POLB
SCHEMBL13009822 0.88 ABCB1 (0.44) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL13009833 0.88 LPAR1 (0.46) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL13009827 0.88 L3MBTL1 (0.45) MAPTKMT2AAPAF1MEN1POLB
SCHEMBL13009798 0.87 PTGER1 (0.47) KMT2AMBTPS1SMN1; SMN2HRH3STAT3
SCHEMBL13009805 0.86 LPAR1 (0.46) MAPTKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL13009836 0.85 L3MBTL1 (0.41) MAPTKMT2AAPAF1MEN1POLB
SCHEMBL13009721 0.83 BCHE (0.38) MAPTKMT2AMBTPS1F10PLAU
SCHEMBL13010023 0.83 FFAR4 (0.42) MAPTMBTPS1F10PLAUL3MBTL1

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 MAPT 4435/4885KMT2A 3700/4885APAF1 1902/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS MAPT 4435/4885KMT2A 3700/4885APAF1 1902/4885

“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.