SCHEMBL6042849

SCHEMBL6042849

COCCCCOc1cc(OCc2ccccc2)ccc1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 2/20 0.58
MAOB P27338 1/20 0.53
ALDH1A1 P00352 3/20 0.49
MET P08581 2/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
HPGD P15428 1/20 0.47
NR4A2 P43354 1/20 0.47

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
SCHEMBL21924287 0.92 MAOB (0.58) NPC1MEN1KMT2ALMNAMAOB
SCHEMBL6042629 0.90 MAOB (0.51) NPC1MEN1KMT2AKDM4ELMNA
SCHEMBL7914107 0.90 MAOB (0.53) NPC1MEN1KMT2AKDM4ELMNA
SCHEMBL6042635 0.90 MEN1 (0.57) NPC1MEN1KMT2AKDM4ELMNA
SCHEMBL3962253 0.90 MAOB (0.61) NPC1MEN1KMT2AKDM4ELMNA
SCHEMBL7901066 0.89 MAOB (0.54) NPC1MEN1KMT2ALMNAMAOB
SCHEMBL21924210 0.89 MAOB (0.54) NPC1MEN1KMT2AKDM4ELMNA
SCHEMBL9325284 0.87 PTPN11 (0.52) NPC1MEN1KMT2AKDM4ELMNA
SCHEMBL3191667 0.87 MAOB (0.58) NPC1MEN1KMT2AKDM4ELMNA
SCHEMBL22438767 0.86 MET (0.52) NPC1MEN1KMT2AKDM4ELMNA

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 NPC1 2706/4885MEN1 1992/4885KMT2A 2309/4885

“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.