SCHEMBL7606515

SCHEMBL7606515

CC(=O)OC(CC1CCOCC1)OC(=O)OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
PIK3CD O00329 1/20 0.35
ACACB O00763 1/20 0.33
CTSD P07339 1/20 0.32
OPRK1 P41145 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL1336951 0.77 TSHR (0.39) TSHR
SCHEMBL5986916 0.71 PIK3CD (0.37) TSHRPIK3CDACACBCTSDIRAK4
Dioxane SCHEMBL1741544 0.69 TSHR (0.70) TSHRPIK3CDOPRK1
SCHEMBL7793643 0.69 ALDH1A1 (0.33) PIK3CDACACB
SCHEMBL16587944 0.67 KAT2B (0.36) TSHRPIK3CDACACBOPRK1
SCHEMBL23480567 0.67 KLK7 (0.41) PIK3CD
SCHEMBL7606353 0.67 PIK3CD (0.36) TSHRPIK3CDACACBCTSD
Dioxane SCHEMBL4036904 0.67 TSHR (0.58) TSHRPIK3CD
Tetrahydrofuran SCHEMBL2502942 0.66 TSHR (0.64) TSHRPIK3CDOPRK1
SCHEMBL5987438 0.66 PIK3CD (0.35) TSHRPIK3CDACACB

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-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 TSHR 1316/4885PIK3CD 2497/4885ACACB 2246/4885

“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.