SCHEMBL25909886

SCHEMBL25909886

CC1OC[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
MAPT P10636 2/20 0.43
CYP2C19 P33261 2/20 0.43
ACHE P22303 1/20 0.43
PDPK1 O15530 1/20 0.42
MTOR P42345 1/20 0.42
SLC6A2 P23975 1/20 0.42
PSEN1 P49768 4/20 0.42
PSEN2 P49810 4/20 0.42
APH1B Q8WW43 4/20 0.42
NCSTN Q92542 4/20 0.42
APH1A Q96BI3 4/20 0.42
PSENEN Q9NZ42 4/20 0.42
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CTSC P53634 1/20 0.40
CTSF Q9UBX1 1/20 0.40

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
SCHEMBL18573747 0.89 BCHE (0.47) BCHEMAPTCYP2C19ACHEPDPK1
SCHEMBL24378470 0.89 BCHE (0.47) BCHEMAPTCYP2C19ACHEPDPK1
SCHEMBL29870527 0.89 BCHE (0.47) BCHEMAPTCYP2C19ACHEPDPK1
SCHEMBL23278551 0.89 BCHE (0.47) BCHEMAPTCYP2C19ACHEPDPK1
SCHEMBL24378329 0.89 BCHE (0.47) BCHEMAPTCYP2C19ACHEPDPK1
SCHEMBL24378345 0.89 BCHE (0.47) BCHEMAPTCYP2C19ACHEPDPK1
SCHEMBL20226446 0.85 SLC6A2 (0.48) BCHEMAPTCYP2C19ACHEPDPK1
SCHEMBL20234398 0.85 SLC6A2 (0.48) BCHEMAPTCYP2C19ACHEPDPK1
SCHEMBL25909883 0.85 SLC6A2 (0.46) BCHEMAPTCYP2C19ACHEPDPK1
SCHEMBL18193301 0.84 PDPK1 (0.44) BCHEMAPTCYP2C19PDPK1MTOR

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 BCHE 623/4885MAPT 4290/4885CYP2C19 3417/4885
US-12037355-B2 Triterpene saponin analogues LSS, NFATC1, PGGT1B BCHE 623/4885MAPT 4290/4885CYP2C19 3417/4885

“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.