SCHEMBL12332641

SCHEMBL12332641

CO[C@@H](CCC1[C@@H](O)C[C@@]2(C)C3C[C@H](OC4OC(CO)C(O)C(O)C4O)C4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)(C)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 4/20 0.55
▸ SYNJ2 O15056 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ HSD11B2 P80365 1/20 0.33
▸ PSEN1 P49768 2/20 0.32
▸ PSEN2 P49810 2/20 0.32
▸ APH1B Q8WW43 2/20 0.32
▸ NCSTN Q92542 2/20 0.32
▸ APH1A Q96BI3 2/20 0.32
▸ PSENEN Q9NZ42 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.31
▸ PRKAG1 P54619 1/20 0.31
▸ PRKAA2 P54646 1/20 0.31
▸ PRKAB1 Q9Y478 1/20 0.31
▸ F3 P13726 3/20 0.31
▸ STAT3 P40763 2/20 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
SCHEMBL16063114 1.00 TYR (0.55) TYRSYNJ2HSD11B1HSD11B2PSEN1
SCHEMBL14446474 0.80 TYR (0.82) TYRSYNJ2PSEN1PSEN2APH1B
SCHEMBL20636509 0.80 TYR (0.82) TYRSYNJ2PSEN1PSEN2APH1B
SCHEMBL15826747 0.80 TYR (0.82) TYRSYNJ2PSEN1PSEN2APH1B
SCHEMBL17479915 0.80 TYR (0.82) TYRSYNJ2PSEN1PSEN2APH1B
SCHEMBL12303842 0.80 TYR (0.82) TYRSYNJ2PSEN1PSEN2APH1B
SCHEMBL19647513 0.80 TYR (0.82) TYRSYNJ2PSEN1PSEN2APH1B
SCHEMBL14217990 0.80 TYR (0.82) TYRSYNJ2PSEN1PSEN2APH1B
SCHEMBL12764257 0.80 TYR (0.82) TYRSYNJ2PSEN1PSEN2APH1B
SCHEMBL30542251 0.80 TYR (0.82) TYRSYNJ2PSEN1PSEN2APH1B

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-20110218161-A1 CYCLOASTRAGENOL MONOGLUCOSIDE, PREPARATION, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2011-09-08 — — 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-20110218161-A1 CYCLOASTRAGENOL MONOGLUCOSIDE, PREPARATION, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF CTSG, AGT, GCG TYR 2162/4885SYNJ2 3532/4885HSD11B1 93/4885

“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.

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