SCHEMBL6042629

SCHEMBL6042629

COC(=O)c1ccc(OCc2ccccc2)cc1OCCCCBr

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
NR4A2 P43354 2/20 0.48
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP15 Q460N3 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 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
SCHEMBL6042849 0.90 NPC1 (0.58) MAOBLMNAHPGDNR4A2NPC1
SCHEMBL21924287 0.90 MAOB (0.58) MAOBLMNAHPGDNR4A2NPC1
SCHEMBL7914107 0.88 MAOB (0.53) MAOBLMNAHPGDNPC1KDM4E
SCHEMBL3962253 0.87 MAOB (0.61) MAOBLMNAHPGDNR4A2NPC1
SCHEMBL7901066 0.86 MAOB (0.54) MAOBLMNAHPGDNPC1MEN1
SCHEMBL21924210 0.86 MAOB (0.54) MAOBLMNAHPGDNPC1KDM4E
SCHEMBL9325284 0.85 PTPN11 (0.52) MAOBLMNANPC1KDM4EMEN1
SCHEMBL3191667 0.85 MAOB (0.58) MAOBLMNAHPGDNPC1KDM4E
SCHEMBL22438767 0.84 MET (0.52) MAOBLMNAHPGDNPC1KDM4E
SCHEMBL3201763 0.84 MAOB (0.57) MAOBLMNAHPGDNPC1KDM4E

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
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 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 (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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 MAOB 316/4885LMNA 1636/4885HPGD 2228/4885

“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.