SCHEMBL355655

SCHEMBL355655

COc1ccc2c(c1OC)CCC2(N)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NQO2 P16083 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PDE4A P27815 2/20 0.36
HSP90AA1 P07900 2/20 0.35
ABCB1 P08183 3/20 0.34
ACHE P22303 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32

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
SCHEMBL8526529 0.81 PARP1 (0.42) PARP1ALDH1A1KDM4EHPGDNQO2
SCHEMBL10723706 0.75 ALDH1A1 (0.46) PARP1ALDH1A1KDM4EHPGDPDE4A
SCHEMBL11006912 0.70 PARP1 (0.43) PARP1ALDH1A1KDM4EHPGDNQO2
SCHEMBL12379988 0.68 ABCB1 (0.45) PARP1ALDH1A1KDM4EHPGDPDE4A
SCHEMBL27371146 0.66 KDM4E (0.50) PARP1ALDH1A1KDM4EHPGDACHE
SCHEMBL11083684 0.66 PARP1 (0.41) PARP1ALDH1A1KDM4EHPGDNQO2
SCHEMBL11552892 0.65 NOTUM (0.38) ALDH1A1KDM4EHPGDNQO2MTNR1A
SCHEMBL28054318 0.64 ADRA1A (0.38) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL11027320 0.63 PARP1 (0.41) PARP1ALDH1A1KDM4EHPGDPDE4A
SCHEMBL10987092 0.63 MTNR1A (0.38) ALDH1A1KDM4EHPGDNQO2MTNR1A

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-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
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

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 PARP1 4378/4885ALDH1A1 2230/4885KDM4E 4831/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 PARP1 3977/4885ALDH1A1 2989/4885KDM4E 4713/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 PARP1 4250/4885ALDH1A1 3131/4885KDM4E 4793/4885

“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.