SCHEMBL316861

SCHEMBL316861

C=Cc1ccc(COCCCCCCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ CA1 P00915 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA2 P00918 2/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ UGCG Q16739 1/20 0.38
▸ GBA2 Q9HCG7 1/20 0.38
▸ CYP24A1 Q07973 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ PKM P14618 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ PSMD10 O75832 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL1617207 0.84 CA2 (0.50) SMN1; SMN2CA1CA9CA2CYP24A1
SCHEMBL26979071 0.83 ALDH1A1 (0.48) SMN1; SMN2LMNACA1CA9CA2
SCHEMBL2241875 0.83 ALDH1A1 (0.48) SMN1; SMN2LMNACA1CA9CA2
SCHEMBL9872166 0.83 ALDH1A1 (0.48) SMN1; SMN2LMNACA1CA9CA2
SCHEMBL29172709 0.83 ALDH1A1 (0.48) SMN1; SMN2LMNACA1CA9CA2
SCHEMBL25206305 0.83 ALDH1A1 (0.48) SMN1; SMN2LMNACA1CA9CA2
SCHEMBL9872267 0.82 ALDH1A1 (0.49) SMN1; SMN2LMNACA1CA9CA2
SCHEMBL14275049 0.81 TDP1 (0.50) SMN1; SMN2LMNACA1CA9CA2
SCHEMBL18428703 0.81 ALDH1A1 (0.47) SMN1; SMN2LMNACA1CA9CA2
SCHEMBL8672969 0.79 CYP24A1 (0.39) CA1CA9CA2CYP24A1ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2045014-B1 POLYMER-SUPPORTED METAL COMPLEX CATALYST UNIV HOKKAIDO NAT UNIV CORP (JP) 2014-01-15 — — EP disclosed
US-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 — — US disclosed
US-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 — — US disclosed
US-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 — — US disclosed
US-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-10 — — US disclosed
US-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-10 — — US disclosed
US-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-10 — — US disclosed
EP-2045014-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST National University Corporation Hokkaido University (JP) 2009-04-08 — — 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-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST PYM1, ARG1, SCO2 SMN1; SMN2 2731/4885LMNA 1555/4885CA1 547/4885

“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.

Send feedback