SCHEMBL6043498

SCHEMBL6043498

COC(=O)c1ccccc1OCCCBr

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
HSP90AA1 P07900 2/20 0.60
HTT P42858 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 4/20 0.53
SLC6A3 Q01959 2/20 0.51
TSHR P16473 2/20 0.49
NR1I2 O75469 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL2389931 0.92 HSP90AA1 (0.58) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL5693756 0.86 HSP90AA1 (0.47) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL7981719 0.85 MAPT (0.62) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL19973714 0.85 MAPT (0.62) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL7956581 0.85 MAPT (0.62) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL28042985 0.85 SLC6A3 (0.56) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL7956804 0.84 MAPT (0.60) MAPTHSP90AA1HTTNPSR1KDM4E
Benzene SCHEMBL28006415 0.84 MAPT (0.60) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL6770205 0.84 MAPT (0.68) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL6280141 0.83 HSP90AA1 (0.59) MAPTHSP90AA1HTTNPSR1KDM4E

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 MAPT 282/4885HSP90AA1 4032/4885HTT 161/4885

“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.