Tert-Butanol

Tert-Butanol

SCHEMBL4349692

CC(C)(C)O.CC(C)(N)c1ccccc1F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.43
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
ACHE P22303 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HSD11B1 P28845 1/20 0.33
CA2 P00918 1/20 0.33
CCR6 P51684 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL30017695 0.93 KCNN4 (0.42) KCNN4KCNE1KCNQ1ESR2ALDH1A1
SCHEMBL1239429 0.93 KCNN4 (0.42) KCNN4KCNE1KCNQ1ESR2ALDH1A1
Hydrochloric Acid SCHEMBL26916930 0.91 KCNN4 (0.41) KCNN4KCNE1KCNQ1ESR2ALDH1A1
SCHEMBL8716679 0.84 KCNN4 (0.44) KCNN4KCNE1KCNQ1ESR2ALDH1A1
SCHEMBL28879487 0.84 KCNN4 (0.44) KCNN4KCNE1KCNQ1ESR2ALDH1A1
SCHEMBL24826099 0.79 KCNN4 (0.42) KCNN4KCNE1KCNQ1ESR2ALDH1A1
SCHEMBL8583526 0.79 KCNN4 (0.42) KCNN4KCNE1KCNQ1ESR2ALDH1A1
SCHEMBL17267041 0.79 KCNN4 (0.42) KCNN4KCNE1KCNQ1ESR2ALDH1A1
SCHEMBL3674130 0.79 KCNN4 (0.42) KCNN4KCNE1KCNQ1ALDH1A1TSHR
SCHEMBL7206142 0.77 PDK1 (0.42) KCNN4KCNE1KCNQ1ESR2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 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-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 KCNN4 3024/4885KCNE1 4038/4885KCNQ1 4482/4885

“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.