SCHEMBL3605443

SCHEMBL3605443

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.36
KAT2B Q92831 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
CA14 Q9ULX7 1/20 0.34
BRPF1 P55201 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
SLC6A3 Q01959 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
P2RX3 P56373 1/20 0.30
ACACB O00763 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL4813209 0.86 CA14 (0.40) CA14SMN1; SMN2TSHRADRB2ADRB1
SCHEMBL3600601 0.84 PIK3CD (0.36) PIK3CDBRPF1TSHR
SCHEMBL17504886 0.82 TSHR (0.40) CA14SMN1; SMN2TSHRADRB2ADRB1
SCHEMBL3605660 0.82 CYP3A4 (0.42) PIK3CDTSHR
SCHEMBL3594848 0.81 RECQL (0.40) PIK3CDCA14SMN1; SMN2ADRB2ADRB1
SCHEMBL3609815 0.81 PIK3CD (0.38) PIK3CDTSHRHTTADRB2ADRB1
SCHEMBL19995332 0.80 PIK3CD (0.36) PIK3CDKAT2BBAZ2BBRPF1SLC6A3
SCHEMBL3605080 0.80 PPM1B (0.39) PIK3CDSMN1; SMN2TSHR
SCHEMBL3605028 0.78 SLC6A3 (0.31) CA14SLC6A3HTT
SCHEMBL3611663 0.77 HTT (0.34) PIK3CDSMN1; SMN2TSHRHTT

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 993/4885KAT2B 1523/4885BAZ2B 4146/4885

“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.