SCHEMBL23625404

SCHEMBL23625404

C[C@@H]1Cc2ccc(CC(C)(C)[C@H]3Cc4ccc(CC(C)(C)C)cc4O3)cc2O1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 2/20 0.32
ACHE P22303 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNJ1 P48048 1/20 0.31
OGA O60502 1/20 0.30

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
SCHEMBL24499851 0.95 TDP1 (0.39) ALDH1A1KDM4EGAATDP1HPGD
SCHEMBL24418002 0.90 TDP1 (0.39) ALDH1A1KDM4EGAATDP1NPC1
SCHEMBL23645657 0.90 TDP1 (0.42) ALDH1A1KDM4EGAATDP1HPGD
SCHEMBL23625408 0.82 PIK3CA (0.37) NPC1
SCHEMBL22423829 0.79 TDP1 (0.49) ALDH1A1KDM4EGAATDP1NPC1
SCHEMBL22423828 0.79 TDP1 (0.49) ALDH1A1KDM4EGAATDP1NPC1
SCHEMBL22423823 0.79 TDP1 (0.49) ALDH1A1KDM4EGAATDP1NPC1
SCHEMBL26038969 0.77 CHRM2 (0.38) ALDH1A1KDM4EGAAHPGDOGA
SCHEMBL13799418 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EGAATDP1NPC1
SCHEMBL23625387 0.73 PIK3CA (0.38) NPC1

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-20210206766-A1 SPIRO COMPOUNDS AS GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-08 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-20210206766-A1 SPIRO COMPOUNDS AS GLYCOSIDASE INHIBITORS GLA, BACE1, GAA ALDH1A1 142/4885KDM4E 2919/4885GAA 3/4885

“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.