SCHEMBL17817848

SCHEMBL17817848

CC1=CC(=O)C=C(CCCCCCCCCCBr)C1=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.45
PTGS2 P35354 5/20 0.45
GLS2 Q9UI32 1/20 0.45
STAT3 P40763 1/20 0.43
BACE1 P56817 2/20 0.40
ACHE P22303 1/20 0.40
PTGS1 P23219 2/20 0.38
PTPN1 P18031 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
SCHEMBL11236411 0.84 ALOX5 (0.63) ALOX5PTGS2GLS2STAT3BACE1
SCHEMBL11407532 0.84 ALOX5 (0.63) ALOX5PTGS2GLS2STAT3BACE1
SCHEMBL11404872 0.82 ALOX5 (0.45) ALOX5PTGS2GLS2STAT3BACE1
SCHEMBL13174362 0.75 STAT3 (0.47) ALOX5PTGS2GLS2STAT3BACE1
SCHEMBL5080244 0.75 STAT3 (0.47) ALOX5PTGS2GLS2STAT3BACE1
SCHEMBL17817858 0.73 STAT3 (0.81) STAT3BACE1ACHEPTPN1
SCHEMBL18104304 0.72 ALOX5 (0.38) ALOX5PTGS2GLS2STAT3BACE1
SCHEMBL17817859 0.72 ACHE (0.67) ALOX5PTGS2GLS2STAT3BACE1
SCHEMBL11023972 0.71 ALOX5 (0.71) ALOX5PTGS2GLS2BACE1ACHE
SCHEMBL10336977 0.71 ALOX5 (0.71) ALOX5PTGS2GLS2BACE1ACHE

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 2 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
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 ALOX5 1398/4885PTGS2 973/4885GLS2 97/4885

“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.