Loliolide

Loliolide

SCHEMBL10181773

CC1(C)C[C@@H](O)C[C@]2(C)OC(=O)C=C12

nearest known ligand 0.53

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.53
▸ PTPN1 P18031 1/20 0.32
▸ STAT3 P40763 1/20 0.31
▸ HSD11B1 P28845 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
Loliolide SCHEMBL16057196 1.00 ACHE (0.53) ACHEPTPN1STAT3HSD11B1
Loliolide SCHEMBL789415 1.00 ACHE (0.53) ACHEPTPN1STAT3HSD11B1
Loliolide SCHEMBL12939655 1.00 ACHE (0.53) ACHEPTPN1STAT3HSD11B1
SCHEMBL12848997 0.71 ACHE (0.37) ACHE
Dihydroactinidiolide SCHEMBL3503557 0.69 ACHE (1.00) ACHE
D-Dihydroactinidiolide SCHEMBL2186328 0.69 ACHE (1.00) ACHE
SCHEMBL15507620 0.61 PTPN1 (0.34) PTPN1
SCHEMBL31034473 0.60 PTPN1 (0.46) PTPN1
SCHEMBL23059477 0.57 HSD11B1 (0.37) HSD11B1
SCHEMBL6664619 0.57 ACHE (0.43) ACHE

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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 — — US disclosed
WO-2012037069-A2 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-03-22 — — WO 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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY WEE1, WEE2, NOTUM ACHE 3674/4885PTPN1 4764/4885STAT3 3221/4885

“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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