SCHEMBL6042714

SCHEMBL6042714

CCOC(=O)c1ccccc1CCN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
POLB P06746 2/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 3/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6044228 0.84 ALDH1A1 (0.49) ALDH1A1POLBTSHRKDM4EGAA
SCHEMBL6043465 0.81 SCN1A (0.49) ALDH1A1POLBTSHRKDM4EHPGD
SCHEMBL6043506 0.81 ALDH1A1 (0.55) ALDH1A1POLBTSHRKMT2AMEN1
SCHEMBL487963 0.80 ALDH1A1 (0.56) ALDH1A1POLBTSHRKDM4EKMT2A
SCHEMBL7315768 0.79 ALDH1A1 (0.64) ALDH1A1POLBKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8521067 0.79 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL16415530 0.79 POLB (0.49) ALDH1A1POLBTSHRKDM4EGAA
SCHEMBL8001616 0.76 POLB (0.55) ALDH1A1POLBKDM4EGAAHPGD
SCHEMBL6609202 0.76 GAA (0.59) ALDH1A1POLBTSHRKDM4EGAA
SCHEMBL8733285 0.76 TSHR (0.69) ALDH1A1TSHRKDM4EKMT2AMEN1

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 ALDH1A1 1039/4885POLB 3076/4885TSHR 1945/4885

“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.