SCHEMBL3599766

SCHEMBL3599766

CC(C)OC(=O)CC(=O)C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.36
BRPF1 P55201 1/20 0.35
OPRK1 P41145 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33
HCRTR2 O43614 1/20 0.33
ACACB O00763 2/20 0.32
TSHR P16473 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
CYP2D6 P10635 1/20 0.31
EPHX2 P34913 1/20 0.31
MIF P14174 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL20954306 0.87 LMNA (0.38) SMN1; SMN2LMNATSHRCYP2D6EPHX2
SCHEMBL27436829 0.82 NPSR1 (0.38) SMN1; SMN2LMNA
SCHEMBL3594828 0.82 GLA (0.39) PIK3CDSMN1; SMN2TSHREPHX2
SCHEMBL3596679 0.80 PIK3CD (0.37) PIK3CDBRPF1HCRTR2TSHREPHX2
SCHEMBL23371333 0.79 OPRK1 (0.35) PIK3CDBRPF1OPRK1SMN1; SMN2HCRTR2
SCHEMBL771683 0.77 GAA (0.48) LMNATSHRALDH1A1
SCHEMBL30724425 0.77 PIK3CD (0.34) PIK3CDSMN1; SMN2TSHR
SCHEMBL696158 0.76 RECQL (0.41) SMN1; SMN2ALDH1A1
SCHEMBL5361281 0.76 PIK3CD (0.39) PIK3CDBRPF1OPRK1SMN1; SMN2TSHR
SCHEMBL12449177 0.75 PIK3CD (0.38) PIK3CDBRPF1SMN1; SMN2HCRTR2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741497-B2 Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane UBE INDUSTRIES, LTD. (JP) 2010-06-22 US disclosed
US-20070043107-A1 Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane UBE INDUSTRIES, LTD. (JP) 2007-02-22 US disclosed
EP-1700852-A1 PROCESSES FOR PRODUCING ALKYL 3-(4-TETRAHYDROPYRANYL)-3-OXOPROPIONATE COMPOUND AND 4-ACYLTETRAHYDROPYRAN Ube Industries, Ltd. (JP) 2006-09-13 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-20070043107-A1 Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane DHPS, OXER1, CYP4A11 PIK3CD 993/4885BRPF1 1134/4885OPRK1 660/4885

“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.