SCHEMBL22336162

SCHEMBL22336162

CCOC(=O)c1scc2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 6/20 0.51
KDM4E B2RXH2 5/20 0.51
LMNA P02545 2/20 0.51
NPC1 O15118 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADRA2A P08913 1/20 0.42

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
SCHEMBL22335733 0.97 KDM4E (0.48) HPGDTP53MAPTKDM4ELMNA
SCHEMBL11085849 0.85 MAPT (0.49) HPGDTP53MAPTKDM4ELMNA
SCHEMBL20892324 0.82 HPGD (0.55) HPGDTP53MAPTKDM4ELMNA
SCHEMBL31563949 0.81 MEN1 (0.40) HPGDMAPTKDM4ELMNANPC1
SCHEMBL11082934 0.80 MAPT (0.45) HPGDTP53MAPTKDM4ELMNA
SCHEMBL11082944 0.80 MAPT (0.45) HPGDTP53MAPTKDM4ELMNA
SCHEMBL1858733 0.80 S1PR1 (0.42) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23335496 0.79 TP53 (0.51) HPGDTP53MAPTKDM4ELMNA
SCHEMBL26954393 0.78 MEN1 (0.52) HPGDTP53MAPTKDM4ELMNA
SCHEMBL22678755 0.77 FABP4 (0.41) HPGDMAPTKDM4ELMNANPC1

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-11124523-B2 2,6-dioxaspiro [4,5] decane derivatives and preparation method therefor and pharmaceutical applications thereof SHANDONG LUYE PHARMACEUTICAL CO., LTD. 2021-09-21 US disclosed
US-20200255444-A1 2,6-DIOXASPIRO [4,5] DECANE DERIVATIVES AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATIONS THEREOF SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2020-08-13 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 (2 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-20200255444-A1 2,6-DIOXASPIRO [4,5] DECANE DERIVATIVES AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATIONS THEREOF OGFR, OPRM1, OPRD1 HPGD 814/4885TP53 4845/4885MAPT 490/4885
US-11124523-B2 2,6-dioxaspiro [4,5] decane derivatives and preparation method therefor and pharmaceutical applications thereof OPRM1, OPRD1, OGFR HPGD 1086/4885TP53 4874/4885MAPT 461/4885

“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.