SCHEMBL25909883

SCHEMBL25909883

CC1C(O)OC[C@@H](OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
BCHE P06276 3/20 0.44
ACHE P22303 1/20 0.41
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4D Q08499 1/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
KLK7 P49862 4/20 0.37
KLK5 Q9Y337 3/20 0.37
CYP1A2 P05177 1/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL13079287 0.87 BCHE (0.45) SLC6A2BCHEMAPTCYP2C19PDE4D
SCHEMBL19421809 0.87 BCHE (0.45) SLC6A2BCHEMAPTCYP2C19PDE4D
SCHEMBL5804981 0.87 SLC6A2 (0.48) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL22031145 0.87 SLC6A2 (0.48) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL7565013 0.87 SLC6A2 (0.48) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL22030353 0.87 SLC6A2 (0.48) SLC6A2BCHEACHEPDPK1MTOR
Bromide SCHEMBL7565722 0.85 SLC6A2 (0.47) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL25909886 0.85 BCHE (0.46) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL20234398 0.83 SLC6A2 (0.48) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL20226446 0.83 SLC6A2 (0.48) SLC6A2BCHEACHEPDPK1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037355-B2 Triterpene saponin analogues ADJUVANCE TECHNOLOGIES, INC. (US) 2024-07-16 US disclosed
US-20230219991-A1 TRITERPENE SAPONIN ANALOGUES ADJUVANCE TECHNOLOGIES, INC. (US) 2023-07-13 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 (2 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-20230219991-A1 TRITERPENE SAPONIN ANALOGUES LSS, NFATC1, PGGT1B SLC6A2 4533/4885BCHE 623/4885ACHE 1722/4885
US-12037355-B2 Triterpene saponin analogues LSS, NFATC1, PGGT1B SLC6A2 4533/4885BCHE 623/4885ACHE 1722/4885

“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.