SCHEMBL23645657

SCHEMBL23645657

C[C@@H]1Cc2cc(CC(C)(C)[C@H]3Cc4cc(CC(C)(C)C)ccc4O3)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 4/20 0.36
NPC1 O15118 4/20 0.36
SLC5A2 P31639 1/20 0.36
HTR2A P28223 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KCNJ1 P48048 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP11B2 P19099 2/20 0.32
ACHE P22303 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL24499851 0.95 TDP1 (0.39) TDP1RAB9ANPC1SLC5A2HTR2A
SCHEMBL22423828 0.90 TDP1 (0.49) TDP1RAB9ANPC1SLC5A2HTR2A
SCHEMBL22423829 0.90 TDP1 (0.49) TDP1RAB9ANPC1SLC5A2HTR2A
SCHEMBL22423823 0.90 TDP1 (0.49) TDP1RAB9ANPC1SLC5A2HTR2A
SCHEMBL23625404 0.90 ALDH1A1 (0.33) TDP1NPC1ALDH1A1KDM4EGAA
SCHEMBL23645649 0.84 PIK3CA (0.38) RAB9ANPC1
SCHEMBL23625387 0.84 PIK3CA (0.38) RAB9ANPC1
SCHEMBL26038969 0.82 CHRM2 (0.38) RAB9AALDH1A1KDM4EGAAHPGD
SCHEMBL26038963 0.79 TDP1 (0.50) TDP1RAB9ANPC1SLC5A2HTR2A
SCHEMBL24418002 0.79 TDP1 (0.39) TDP1RAB9ANPC1SLC5A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731972-B2 Spiro compounds as glycosidase inhibitors ASCENEURON SA (CH) 2023-08-22 US disclosed
US-20220177470-A1 SULFOXIMINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-06-09 US disclosed
US-20220143042-A1 FUSED GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-05-12 US disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 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 (4 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-20220177470-A1 SULFOXIMINE GLYCOSIDASE INHIBITORS ENGASE, BACE1, GAA TDP1 881/4885RAB9A 1707/4885NPC1 2614/4885
US-20220143042-A1 FUSED GLYCOSIDASE INHIBITORS BACE1, ENGASE, GBA3 TDP1 534/4885RAB9A 1268/4885NPC1 215/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP TDP1 283/4885RAB9A 1228/4885NPC1 596/4885
US-11731972-B2 Spiro compounds as glycosidase inhibitors GLA, BACE1, GAA TDP1 1611/4885RAB9A 983/4885NPC1 153/4885

“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.