SCHEMBL23901705

SCHEMBL23901705

CC(C)c1ccc(C(C)C)c(SC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 2/20 0.36
TRPA1 O75762 2/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
CRHR1 P34998 1/20 0.34
RNASEH1 O60930 1/20 0.32
TYR P14679 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A4 P31645 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL23902124 0.85 PDE2A (0.38) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL23901712 0.84 ALDH1A1 (0.38) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL9909702 0.79 CRHR1 (0.42) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL18386259 0.78 ALDH1A1 (0.50) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL23902040 0.78 ALDH1A1 (0.39) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL23902033 0.74 ALDH1A1 (0.34) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL8534777 0.73 FABP3 (0.41) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL23902035 0.73 ALDH1A1 (0.33) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL26866970 0.72 AGBL2 (0.38) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL778017 0.71 LMNA (0.46) ALDH1A1GAAALOX12HTTHIF1A

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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 ALDH1A1 4745/4885GAA 885/4885ALOX12 2292/4885

“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.