SCHEMBL6042513

SCHEMBL6042513

CCOC(=O)c1ccccc1OCCCOC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
TBXAS1 P24557 1/20 0.56
MAPT P10636 4/20 0.54
HSP90AA1 P07900 2/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.49
HCRTR1 O43613 2/20 0.49
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL6041989 0.97 TSHR (0.59) TSHRTBXAS1MAPTHSP90AA1HTT
SCHEMBL28701055 0.92 TSHR (0.61) TSHRTBXAS1MAPTHSP90AA1HTT
SCHEMBL10348648 0.88 ALDH1A1 (0.59) TSHRTBXAS1MAPTHSP90AA1HTT
SCHEMBL28695236 0.88 ALDH1A1 (0.59) TSHRTBXAS1MAPTHSP90AA1HTT
SCHEMBL5353531 0.88 TSHR (0.65) TSHRTBXAS1MAPTHSP90AA1HTT
SCHEMBL10459135 0.86 TSHR (0.61) TSHRTBXAS1MAPTHSP90AA1HTT
SCHEMBL9969538 0.86 TSHR (0.65) TSHRTBXAS1MAPTHSP90AA1HTT
SCHEMBL11588678 0.85 TSHR (0.59) TSHRTBXAS1MAPTHSP90AA1HTT
SCHEMBL8982913 0.85 LMNA (0.68) TSHRTBXAS1MAPTNPSR1ALDH1A1
SCHEMBL339281 0.85 LMNA (0.68) TSHRTBXAS1MAPTNPSR1ALDH1A1

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 4 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
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 CN 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 TSHR 1945/4885TBXAS1 2091/4885MAPT 282/4885

“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.