SCHEMBL1837909

SCHEMBL1837909

CCCCCCOC(=O)c1cccc(=O)n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TSHR P16473 4/20 0.55
LMNA P02545 3/20 0.55
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
MMP1 P03956 1/20 0.51
MMP9 P14780 1/20 0.51
MMP12 P39900 1/20 0.51
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 2/20 0.49
MMP2 P08253 1/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ESR1 P03372 3/20 0.44
AKR1C4 P17516 1/20 0.44

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
SCHEMBL2535794 0.72 LMNA (0.66) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL5366432 0.72 LMNA (0.66) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL14452075 0.72 ALDH1A1 (0.65) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL110817 0.72 LMNA (0.66) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL19348924 0.72 LMNA (0.66) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL111221 0.72 LMNA (0.66) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL5373212 0.72 LMNA (0.66) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL106401 0.72 LMNA (0.66) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL5370832 0.72 LMNA (0.66) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL5371920 0.72 LMNA (0.66) ALDH1A1TSHRLMNAMAPK1TP53

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 5 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
EP-2320891-A1 BUTYRYLCHOLINESTERASE LIGANDS AS DIAGNOSTIC TOOLS AND TREATMENT FOR DESEASES OF THE NERVOUS SYSTEM Treventis Corporation (US) 2011-05-18 EP disclosed
WO-2010025368-A1 BUTYRYLCHOLINESTERASE LIGANDS AS DIAGNOSTIC TOOLS AND TREATMENT FOR DESEASES OF THE NERVOUS SYSTEM TREVENTIS CORPORATION (US) 2010-03-04 WO 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 1760/4885TSHR 979/4885LMNA 1775/4885

“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.