SCHEMBL6041989

SCHEMBL6041989

CCOC(=O)c1ccccc1OCCCCOC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
TBXAS1 P24557 1/20 0.56
LMNA P02545 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
CYP3A4 P08684 2/20 0.52
MEN1 O00255 1/20 0.52
NR1I2 O75469 1/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
OPRK1 P41145 1/20 0.52
HTR2B P41595 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL6042513 0.97 TSHR (0.59) TSHRTBXAS1LMNASMN1; SMN2MAPT
SCHEMBL28701055 0.92 TSHR (0.61) TSHRTBXAS1LMNASMN1; SMN2MAPT
SCHEMBL10348648 0.88 ALDH1A1 (0.59) TSHRTBXAS1LMNASMN1; SMN2MAPT
SCHEMBL28695236 0.88 ALDH1A1 (0.59) TSHRTBXAS1LMNASMN1; SMN2MAPT
SCHEMBL339281 0.88 LMNA (0.68) TSHRTBXAS1LMNASMN1; SMN2MAPT
SCHEMBL8982913 0.88 LMNA (0.68) TSHRTBXAS1LMNASMN1; SMN2MAPT
SCHEMBL5353531 0.88 TSHR (0.65) TSHRTBXAS1LMNAMAPTL3MBTL1
SCHEMBL10459135 0.86 TSHR (0.61) TSHRTBXAS1LMNASMN1; SMN2MAPT
SCHEMBL9969538 0.86 TSHR (0.65) TSHRTBXAS1LMNASMN1; SMN2MAPT
SCHEMBL11588678 0.85 TSHR (0.59) TSHRTBXAS1LMNASMN1; SMN2MAPT

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 TSHR 1945/4885TBXAS1 2091/4885LMNA 1636/4885

“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.