SCHEMBL6580747

SCHEMBL6580747

OC[C@H]1COC2(CCCC2)O1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
PABPC1 P11940 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
HTR1A P08908 4/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ADRA1D P25100 3/20 0.40
ADRA1B P35368 3/20 0.40
ALDH1A1 P00352 2/20 0.38
BRD4 O60885 1/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
RIN1 Q13671 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ADRA1A P35348 2/20 0.36
MAPT P10636 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
SCHEMBL6218416 1.00 GAA (0.50) GAAPABPC1CTDSP1HTR1ATMEM97
SCHEMBL1487109 0.98 PABPC1 (0.53) GAAPABPC1CTDSP1HTR1ATMEM97
SCHEMBL714617 0.98 PABPC1 (0.53) GAAPABPC1CTDSP1HTR1ATMEM97
SCHEMBL8192982 0.98 PABPC1 (0.53) GAAPABPC1CTDSP1HTR1ATMEM97
SCHEMBL8200760 0.98 PABPC1 (0.53) GAAPABPC1CTDSP1HTR1ATMEM97
SCHEMBL8625830 0.98 PABPC1 (0.53) GAAPABPC1CTDSP1HTR1ATMEM97
Methacrylic Acid SCHEMBL8199915 0.83 PABPC1 (0.46) GAAPABPC1CTDSP1HTR1ATMEM97
SCHEMBL8637708 0.82 GAA (0.50) GAAPABPC1CTDSP1HTR1ATMEM97
SCHEMBL13381093 0.80 PABPC1 (0.56) GAAPABPC1CTDSP1HTR1ATMEM97
SCHEMBL8201231 0.79 GAA (0.41) GAAPABPC1CTDSP1HTR1ATMEM97

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 6 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-1307441-A1 1,3-DIOXOLANES WITH ANTITUSSIVE ACTIVITY Dompe' S.P.A. (IT) 2003-05-07 EP disclosed
WO-2002010149-A1 1,3-DIOXOLANES WITH ANTITUSSIVE ACTIVITY DOMPE' S.P.A. (IT) 2002-02-07 WO disclosed
EP-0325967-A2 Process for the preparation of pure enantiomers of 2,2,4-trisubstituted 1,3-dioxolanes LONZA AG (CH) 1989-08-02 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 GAA 3620/4885PABPC1 1032/4885CTDSP1 1104/4885

“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.