SCHEMBL2404923

SCHEMBL2404923

CCCOC(=O)c1cccc(=O)n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
LMNA P02545 3/20 0.49
TSHR P16473 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
ESR1 P03372 1/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
KDR P35968 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAOB P27338 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
GRM6 O15303 1/20 0.38
GABRP O00591 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
SCHEMBL1837909 0.88 ALDH1A1 (0.55) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL22959441 0.75 NPC1 (0.47) LMNATDP1SLC6A2MMP1MMP9
SCHEMBL17477620 0.71 MCL1 (0.44) ALDH1A1TSHRTDP1L3MBTL1KDM4E
SCHEMBL20267839 0.71 ALDH1A1 (0.42) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL27543772 0.70 ALDH1A1 (0.49) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL6342524 0.70 ALDH1A1 (0.41) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL17477664 0.70 TSHR (0.46) ALDH1A1TSHRL3MBTL1KDM4EHSD17B10
SCHEMBL22724094 0.70 IDH1 (0.40) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL11990342 0.70 IDH1 (0.40) ALDH1A1TDP1MMP1MMP9MMP12
SCHEMBL1256567 0.69 CA12 (0.47) ALDH1A1TSHRTDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8795630-B2 Butyrylcholinesterase ligands as diagnostic tools and treatment for diseases of the nervous system TREVENTIS CORPORATION (US) 2014-08-05 US disclosed
EP-2320891-B1 BUTYRYLCHOLINESTERASE LIGANDS AS DIAGNOSTIC TOOLS AND TREATMENT FOR DESEASES OF THE NERVOUS SYSTEM TREVENTIS CORP (US) 2013-10-09 EP disclosed
US-20110212026-A1 BUTYRYLCHOLINESTERASE LIGANDS AS DIAGNOSTIC TOOLS AND TREATMENT FOR DESEASES OF THE NERVOUS SYSTEM TREVENTIS CORPORATION 2011-09-01 US disclosed
CN-102164598-A Butyrylcholinesterase ligands as diagnostic tools and therapeutics for neurological diseases TREVENTIS CORP 2011-08-24 CN 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-20110212026-A1 BUTYRYLCHOLINESTERASE LIGANDS AS DIAGNOSTIC TOOLS AND TREATMENT FOR DESEASES OF THE NERVOUS SYSTEM BCHE, ACHE, CERS2 ALDH1A1 1760/4885LMNA 1775/4885TSHR 979/4885

“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.