SCHEMBL17817859

SCHEMBL17817859

O=C1C=CC(=O)C(CCCCCCCCCCBr)=C1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.67
BACE1 P56817 1/20 0.67
STAT3 P40763 1/20 0.42
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ALOX5 P09917 5/20 0.34
PTGS2 P35354 5/20 0.34
GLS2 Q9UI32 1/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPN1 P18031 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
SCHEMBL14680383 0.89 ACHE (0.80) ACHEBACE1STAT3MAOAMAOB
SCHEMBL20087552 0.83 ACHE (0.69) ACHEBACE1STAT3MAOAMAOB
SCHEMBL8782213 0.80 ACHE (1.00) ACHEBACE1STAT3MAOAMAOB
SCHEMBL11018415 0.80 ACHE (1.00) ACHEBACE1STAT3MAOAMAOB
SCHEMBL3264783 0.80 ACHE (1.00) ACHEBACE1STAT3MAOAMAOB
SCHEMBL10602472 0.80 ACHE (0.67) ACHEBACE1STAT3MAOAMAOB
SCHEMBL10605591 0.80 ACHE (0.67) ACHEBACE1STAT3MAOAMAOB
SCHEMBL10702354 0.80 ACHE (1.00) ACHEBACE1STAT3MAOAMAOB
SCHEMBL20875697 0.80 ACHE (1.00) ACHEBACE1STAT3MAOAMAOB
SCHEMBL10605739 0.80 ACHE (0.67) ACHEBACE1STAT3MAOAMAOB

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-20160279154-A1 MITOCONDRIALLY-TARGETED TIMOQUINONES AND TOLUQUINONES MITOTECH SA (LU) 2016-09-29 US disclosed
US-20160279154-A1 MITOCONDRIALLY-TARGETED TIMOQUINONES AND TOLUQUINONES MITOTECH SA (LU) 2016-09-29 US disclosed
US-20160279154-A1 MITOCONDRIALLY-TARGETED TIMOQUINONES AND TOLUQUINONES MITOTECH SA (LU) 2016-09-29 US disclosed
EP-3030267-A2 MITOCHONDRIALLY-TARGETED TIMOQUINONES AND TOLUQUINONES Mitotech SA (LU) 2016-06-15 EP 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-20160279154-A1 MITOCONDRIALLY-TARGETED TIMOQUINONES AND TOLUQUINONES MT-ND2, MT-ND5, MT-ND1 ACHE 1683/4885BACE1 1430/4885STAT3 1757/4885

“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.