SCHEMBL23720100

SCHEMBL23720100

O=S(=O)(c1ccccc1)C1(c2ccccc2)C(CC2CCCC2)[C@@H]1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
HTR7 P34969 6/20 0.36
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
CYP3A4 P08684 1/20 0.35
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
GBA1 P04062 1/20 0.33
RORC P51449 2/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 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
SCHEMBL23720025 1.00 GAA (0.36) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL23720198 0.83 GAA (0.37) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL23720202 0.79 HSD11B1 (0.32) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL23720208 0.75 HTR7 (0.47) HTR7PSEN1PSEN2APH1BNCSTN
SCHEMBL23720027 0.74 TDP1 (0.36) GAAHTR7ALDH1A1
SCHEMBL23720151 0.74 TDP1 (0.36) GAAHTR7ALDH1A1
SCHEMBL23720156 0.73 GAA (0.38) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL23720158 0.71 GAA (0.37) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL23720197 0.71 GAA (0.37) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL23720115 0.71 GAA (0.37) GAAMCOLN3HTR7PSEN1PSEN2

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-20210238133-A1 CYCLOPROPANATION METHOD OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2021-08-05 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-20210238133-A1 CYCLOPROPANATION METHOD ADH1A, ADH1C, ADH5 GAA 2833/4885MCOLN3 4341/4885HTR7 3034/4885

“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.