SCHEMBL3609815

SCHEMBL3609815

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.38
RAB9A P51151 2/20 0.35
TSHR P16473 3/20 0.34
ALDH1A1 P00352 3/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CTSC P53634 1/20 0.31
CTSF Q9UBX1 1/20 0.31
HPGD P15428 1/20 0.30
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
HCRTR2 O43614 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
SCHEMBL3605660 0.85 CYP3A4 (0.42) PIK3CDRAB9ATSHRALDH1A1HPGD
SCHEMBL3609381 0.83 PIK3CD (0.36) PIK3CDRAB9ATSHRALDH1A1
SCHEMBL3605080 0.82 PPM1B (0.39) PIK3CDTSHRALDH1A1HPGD
SCHEMBL3605443 0.81 PIK3CD (0.36) PIK3CDTSHRADRB2ADRB1ADRB3
SCHEMBL5359662 0.81 ADRB2 (0.43) PIK3CDRAB9ATSHRALDH1A1ADRB2
SCHEMBL3603637 0.80 SMN1; SMN2 (0.44) RAB9ATSHRALDH1A1HPGDNPC1
SCHEMBL3600601 0.79 PIK3CD (0.36) PIK3CDTSHRALDH1A1
SCHEMBL3594848 0.77 RECQL (0.40) PIK3CDADRB2ADRB1ADRB3
SCHEMBL3596679 0.75 PIK3CD (0.37) PIK3CDRAB9ATSHRALDH1A1ADRB2
SCHEMBL14961962 0.75 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.