SCHEMBL25675853

SCHEMBL25675853

C[C@@H]1c2ccccc2SC[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
DRD1 P21728 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 4/20 0.33
DRD3 P35462 4/20 0.33
DRD4 P21917 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL25675874 1.00 ALDH1A1 (0.38) ALDH1A1GAASLC6A2SLC6A4DRD1
SCHEMBL25659969 1.00 ALDH1A1 (0.38) ALDH1A1GAASLC6A2SLC6A4DRD1
SCHEMBL25659968 1.00 ALDH1A1 (0.38) ALDH1A1GAASLC6A2SLC6A4DRD1
SCHEMBL7305807 0.77 ALDH1A1 (0.39) ALDH1A1GAASLC6A2SLC6A4DRD1
SCHEMBL7234630 0.77 ALDH1A1 (0.39) ALDH1A1GAASLC6A2SLC6A4DRD1
SCHEMBL7305822 0.77 ALDH1A1 (0.39) ALDH1A1GAASLC6A2SLC6A4DRD1
SCHEMBL8517348 0.77 SLC6A2 (0.38) ALDH1A1GAASLC6A2SLC6A4DRD1
SCHEMBL25674510 0.77 ALDH1A1 (0.33) ALDH1A1GAASLC6A2SLC6A4DRD1
SCHEMBL25675865 0.77 ALDH1A1 (0.33) ALDH1A1GAASLC6A2SLC6A4DRD1
SCHEMBL25674512 0.77 ALDH1A1 (0.33) ALDH1A1GAASLC6A2SLC6A4DRD1

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-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION 2023-06-22 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-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS ACE2, ACE, SARS1 ALDH1A1 3093/4885GAA 731/4885SLC6A2 4007/4885

“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.