SCHEMBL367258

SCHEMBL367258

COc1cc(C[n+]2ccccc2)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP19A1 P11511 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ CALM1 P0DP23 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL18775291 0.82 ALDH1A1 (0.43) ALDH1A1CYP19A1ABCB1AKR1B1CALM1
SCHEMBL565104 0.80 LTA4H (0.53) ACHEBCHEHSP90AA1CA1CA2
Hydrochloric Acid SCHEMBL4740735 0.78 LTA4H (0.52) ACHEBCHEALDH1A1HSP90AA1
SCHEMBL15745554 0.78 BCHE (0.58) ACHEBCHEALDH1A1
SCHEMBL12306074 0.72 CHKA (0.56) ACHEALDH1A1
SCHEMBL20143526 0.71 RXRA (0.44) ACHEBCHEALDH1A1HSP90AA1
SCHEMBL9502792 0.71 LTA4H (0.47) ACHEBCHEALDH1A1HSP90AA1
Bromide SCHEMBL7860384 0.71 CHKA (0.58) ALDH1A1
Hydrochloric Acid SCHEMBL2008133 0.68 TAAR1 (0.56) MAOBABCB1
SCHEMBL10051998 0.68 BCHE (0.48) ACHEBCHEALDH1A1TSHR

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 ACHE 13/4885BCHE 15/4885ALDH1A1 2230/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 ACHE 13/4885BCHE 11/4885ALDH1A1 2989/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 ACHE 11/4885BCHE 10/4885ALDH1A1 3131/4885

“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.

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