SCHEMBL4405147

SCHEMBL4405147

CCCCCCCCCCCCCCCC(CC(=O)OCC)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
GPR84 Q9NQS5 6/20 0.36
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FDPS P14324 2/20 0.34
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34

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
SCHEMBL4408415 1.00 L3MBTL1 (0.50) L3MBTL1MAPTMAPK1NPSR1ALDH1A1
SCHEMBL8468455 0.85 L3MBTL1 (0.47) L3MBTL1MAPTMAPK1NPSR1ALDH1A1
SCHEMBL10388546 0.85 MAPT (0.41) L3MBTL1MAPTMAPK1NPSR1ALDH1A1
SCHEMBL4403990 0.81 SLC6A4 (0.44) L3MBTL1MAPTMAPK1NPSR1ALDH1A1
SCHEMBL3896866 0.80 MAPK1 (0.46) L3MBTL1MAPTMAPK1NPSR1ALDH1A1
SCHEMBL854811 0.79 MAPT (0.53) L3MBTL1MAPTMAPK1NPSR1ALDH1A1
SCHEMBL12469943 0.77 FDPS (0.39) L3MBTL1MAPTMAPK1NPSR1MEN1
SCHEMBL15670951 0.77 FDPS (0.39) L3MBTL1MAPTMAPK1NPSR1MEN1
SCHEMBL2228223 0.77 FDPS (0.39) L3MBTL1MAPTMAPK1NPSR1MEN1
SCHEMBL14127423 0.77 FDPS (0.39) L3MBTL1MAPTMAPK1NPSR1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877958-B2 Method to prepare beta-functionalized aliphatic esters COGNIS IP MANAGEMENT GMBH (DE) 2014-11-04 US disclosed
US-8877958-B2 Method to prepare beta-functionalized aliphatic esters COGNIS IP MANAGEMENT GMBH (DE) 2014-11-04 US disclosed
US-20130225852-A1 Method To Prepare beta-Functionalized Aliphatic Esters COGNIS IP MANAGEMENT GMBH (DE) 2013-08-29 US disclosed
US-20130225852-A1 Method To Prepare beta-Functionalized Aliphatic Esters COGNIS IP MANAGEMENT GMBH (DE) 2013-08-29 US disclosed
WO-2012055455-A1 A METHOD TO PREPARE BETA - FUNCTIONALIZED ALIPHATIC ESTERS COGNIS IP MANAGEMENT GMBH (DE) 2012-05-03 WO disclosed
EP-2447245-A1 A method to prepare beta-functionalized aliphatic esters Cognis IP Management GmbH (DE) 2012-05-02 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 (1 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-20130225852-A1 Method To Prepare beta-Functionalized Aliphatic Esters CYP8B1, EBP, DBH L3MBTL1 3996/4885MAPT 3724/4885MAPK1 2085/4885

“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.