SCHEMBL6738645

SCHEMBL6738645

N#Cc1ccc(OCCOCCO)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.63
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
MMP2 P08253 5/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
KMT2A Q03164 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
MMP3 P08254 3/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL28563986 1.00 APP (0.63) APPALDH1A1MAPTSMN1; SMN2MMP2
SCHEMBL28563987 1.00 APP (0.63) APPALDH1A1MAPTSMN1; SMN2MMP2
SCHEMBL28566599 1.00 APP (0.63) APPALDH1A1MAPTSMN1; SMN2MMP2
SCHEMBL25123467 0.95 MMP2 (0.58) APPALDH1A1MAPTSMN1; SMN2MMP2
SCHEMBL8673505 0.90 SMN1; SMN2 (0.61) APPALDH1A1MAPTSMN1; SMN2MMP2
SCHEMBL410754 0.88 MMP2 (0.61) ALDH1A1MAPTMMP2MMP3MMP1
SCHEMBL25123983 0.87 APP (0.54) APPALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL24303208 0.86 APP (0.67) APPALDH1A1SMN1; SMN2MEN1USP2
SCHEMBL3085759 0.86 APP (0.67) APPALDH1A1SMN1; SMN2MEN1USP2
SCHEMBL5096555 0.85 MMP2 (0.67) ALDH1A1MAPTMMP2MMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440251-B Method for photo/nickel concerted catalysis of monoarylation diol 陕西师范大学 2021-01-01 CN disclosed
US-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 US disclosed
WO-2000077000-A9 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2003-06-19 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 (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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D APP 3364/4885ALDH1A1 790/4885MAPT 4305/4885

“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.