SCHEMBL6581604

SCHEMBL6581604

CCC1(CC)OC[C@H]([C@@H](O)[C@H](O)[C@H]2COC(CC)(CC)O2)O1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL2757777 1.00 MMP9 (0.32) MMP9MMP1MMP2
SCHEMBL6765429 0.88 MMP9 (0.34) MMP9MMP1MMP2
SCHEMBL2871627 0.86 MMP9 (0.32) MMP9MMP1MMP2
SCHEMBL12325580 0.84
SCHEMBL14429313 0.83
SCHEMBL13381148 0.81 MMP9 (0.31) MMP9MMP1MMP2
SCHEMBL6765481 0.80 MMP9 (0.31) MMP9MMP1MMP2
SCHEMBL23198114 0.78 MEN1 (0.36)
SCHEMBL23220911 0.78 MEN1 (0.36)
SCHEMBL13381185 0.78

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-6835734-B2 (S)-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol cyclic acetals, useful as intermediates for the preparation of levodropropizine Dompé S.p.A. (IT) 2004-12-28 US disclosed
EP-1307441-B1 1,3-DIOXOLANES WITH ANTITUSSIVE ACTIVITY DOMPE SPA (IT) 2004-05-06 EP disclosed
US-20040038989-A1 1,3-dioxolanes with antitussive activity DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-02-26 US disclosed
EP-0506235-A1 Glyceraldehyde-3-pentanide and process for producing same ELI LILLY AND COMPANY (US) 1992-09-30 EP 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-20040038989-A1 1,3-dioxolanes with antitussive activity ADRA1D, QDPR, PDE3A MMP9 1322/4885MMP1 468/4885MMP2 1046/4885

“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.