SCHEMBL3596679

SCHEMBL3596679

CC(C)COC(=O)CC(=O)C1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.37
RAB9A P51151 1/20 0.34
TSHR P16473 4/20 0.33
EPHX2 P34913 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HCRTR2 O43614 1/20 0.32
BRPF1 P55201 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 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
SCHEMBL771683 0.81 GAA (0.48) RAB9ATSHRPOLBGAAL3MBTL1
SCHEMBL3599766 0.80 PIK3CD (0.36) PIK3CDTSHREPHX2HCRTR2BRPF1
SCHEMBL5359662 0.80 ADRB2 (0.43) PIK3CDRAB9ATSHRALDH1A1ADRB2
SCHEMBL3594828 0.79 GLA (0.39) PIK3CDTSHREPHX2GAA
SCHEMBL3604818 0.79 PPM1B (0.40) RAB9ATSHREPHX2POLBGAA
SCHEMBL30724425 0.78 PIK3CD (0.34) PIK3CDTSHRPOLB
SCHEMBL3594459 0.76 SMN1; SMN2 (0.45) RAB9ATSHREPHX2POLBALDH1A1
SCHEMBL3609815 0.75 PIK3CD (0.38) PIK3CDRAB9ATSHRHCRTR2ALDH1A1
SCHEMBL2363434 0.74 ALDH1A1 (0.40) TSHREPHX2GAATDP1ALDH1A1
SCHEMBL14961962 0.73 ADRB2 (0.38) PIK3CDRAB9ATSHRALDH1A1ADRB2

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 993/4885RAB9A 3231/4885TSHR 3572/4885

“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.