SCHEMBL6042705

SCHEMBL6042705

COC(=O)c1ccc(C)cc1OCCCCBr

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
HTT P42858 2/20 0.59
HSP90AA1 P07900 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 2/20 0.46
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 5/20 0.44
L3MBTL4 Q8NA19 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.42
PLK1 P53350 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
TTR P02766 1/20 0.41
CYP2C8 P10632 1/20 0.41

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
SCHEMBL6043225 0.88 HTT (0.61) MAPTHTTHSP90AA1NPSR1L3MBTL1
SCHEMBL498071 0.87 HTT (0.63) MAPTHTTHSP90AA1NPSR1L3MBTL1
SCHEMBL3078708 0.85 MAPT (0.65) MAPTHTTHSP90AA1NPSR1L3MBTL1
SCHEMBL18758110 0.83 KMT2A (0.42) MAPTHTTHSP90AA1NPSR1L3MBTL1
SCHEMBL3080754 0.82 MAPT (0.61) MAPTHTTHSP90AA1NPSR1L3MBTL1
SCHEMBL2847294 0.80 TDP1 (0.64) MAPTHTTHSP90AA1NPSR1SMN1; SMN2
SCHEMBL30966095 0.80 MAPT (0.51) MAPTL3MBTL1LMNAALDH1A1TDP1
SCHEMBL22160257 0.79 KDM4E (0.51) MAPTHTTL3MBTL1SMN1; SMN2LMNA
SCHEMBL24962414 0.79 MAPT (0.64) MAPTHTTHSP90AA1NPSR1L3MBTL1
SCHEMBL9125892 0.79 HTT (0.53) MAPTHTTHSP90AA1NPSR1L3MBTL1

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 282/4885HTT 161/4885HSP90AA1 4032/4885

“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.