SCHEMBL3594459

SCHEMBL3594459

CCCCOC(=O)CC(=O)C1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
FAAH O00519 2/20 0.41
NAAA Q02083 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.37
EPHX2 P34913 1/20 0.36
DGKA P23743 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3604818 0.90 PPM1B (0.40) SMN1; SMN2POLBLMNAFAAHNAAA
SCHEMBL8178256 0.89 NAAA (0.50) FAAHNAAAALDH1A1TSHRATM
SCHEMBL771683 0.83 GAA (0.48) POLBLMNARAB9AMAPTALDH1A1
SCHEMBL5353054 0.80 SMN1; SMN2 (0.50) SMN1; SMN2POLBLMNARAB9ANPC1
SCHEMBL3594828 0.78 GLA (0.39) SMN1; SMN2TSHREPHX2HSD17B10
SCHEMBL12686975 0.78 SMN1; SMN2 (0.47) SMN1; SMN2POLBLMNANAAARAB9A
SCHEMBL3596679 0.76 PIK3CD (0.37) POLBRAB9AALDH1A1TSHREPHX2
SCHEMBL4431630 0.74 SMN1; SMN2 (0.44) SMN1; SMN2POLBLMNARAB9ANPC1
SCHEMBL1616230 0.74 MGAM (0.45) POLBLMNARAB9AALDH1A1TSHR
SCHEMBL3603637 0.74 SMN1; SMN2 (0.44) SMN1; SMN2POLBLMNARAB9ANPC1

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 SMN1; SMN2 4625/4885POLB 3600/4885LMNA 3899/4885

“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.