SCHEMBL354053

SCHEMBL354053

CCOC(=O)C(C#N)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSD11B1 P28845 2/20 0.35
BCL2 P10415 1/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
EPHX2 P34913 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
HTT P42858 2/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL7248924 0.84 HSD11B1 (0.32) ALDH1A1MAPK1MEN1KMT2ATP53
SCHEMBL28311742 0.75 MAPK1 (0.35) ALDH1A1MAPK1LMNACYP1A2CYP2C19
SCHEMBL546205 0.74 L3MBTL1 (0.41) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL16424346 0.71 ALDH1A1 (0.39) ALDH1A1MAPK1MEN1KMT2ATP53
SCHEMBL26698331 0.71 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL28931786 0.71 HSD11B1 (0.38) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL9863511 0.71 EPHX2 (0.34) ALDH1A1MAPK1KMT2ALMNAHSD11B1
SCHEMBL888546 0.71 MAPK1 (0.41) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL888632 0.71 CYP2D6 (0.35) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL16423074 0.70 ALDH1A1 (0.37) ALDH1A1MAPK1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
EP-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP disclosed
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-10-05 US disclosed
WO-2006085149-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-08-17 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 (3 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-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity APP, IAPP, BACE1 ALDH1A1 2230/4885MAPK1 2024/4885MEN1 2282/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 ALDH1A1 2989/4885MAPK1 4214/4885MEN1 1011/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 ALDH1A1 3131/4885MAPK1 4102/4885MEN1 683/4885

“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.