SCHEMBL2363434

SCHEMBL2363434

C=CCOC(=O)CC(=O)C1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 2/20 0.36
EPHX2 P34913 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL6688402 0.88 ALDH1A1 (0.45) ALDH1A1GAATSHREPHX2TDP1
SCHEMBL4791108 0.80 KMT2A (0.36) ALDH1A1GAATSHRMAPTCACNA1B
SCHEMBL771683 0.78 GAA (0.48) ALDH1A1GAATSHRMAPTKMT2A
SCHEMBL3594828 0.75 GLA (0.39) GAATSHREPHX2SMN1; SMN2HSD17B10
SCHEMBL3604818 0.75 PPM1B (0.40) ALDH1A1GAATSHREPHX2SMN1; SMN2
SCHEMBL3596679 0.74 PIK3CD (0.37) ALDH1A1GAATSHREPHX2TDP1
SCHEMBL30724425 0.74 PIK3CD (0.34) TSHRSMN1; SMN2
SCHEMBL3599766 0.73 PIK3CD (0.36) ALDH1A1TSHREPHX2SMN1; SMN2
SCHEMBL3594459 0.73 SMN1; SMN2 (0.45) ALDH1A1TSHREPHX2MAPTKMT2A
SCHEMBL57069 0.72 TSHR (0.52) ALDH1A1GAATSHREPHX2TDP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043107-A1 Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane UBE INDUSTRIES, LTD. (JP) 2007-02-22 US claimed
EP-1700852-A1 PROCESSES FOR PRODUCING ALKYL 3-(4-TETRAHYDROPYRANYL)-3-OXOPROPIONATE COMPOUND AND 4-ACYLTETRAHYDROPYRAN Ube Industries, Ltd. (JP) 2006-09-13 EP claimed
CN-1898228-B 3- (4-tetrahydropyran) -3-oxopropanoic acid alkyl ester compound and method for preparing 4-acyltetrahydropyran UBE INDUSTRIES 2012-05-02 CN disclosed
CN-1898228-B 3- (4-tetrahydropyran) -3-oxopropanoic acid alkyl ester compound and method for preparing 4-acyltetrahydropyran UBE INDUSTRIES 2012-05-02 CN disclosed
JP-2011148818-A METHOD FOR PRODUCING ALKYL 3-(4-TETRAHYDROPYRANYL)-3-OXOPROPANOATE COMPOUND AND 4-ACYLTETRAHYDROPYRAN UBE INDUSTRIES LTD 2011-08-04 JP disclosed
JP-2011148818-A METHOD FOR PRODUCING ALKYL 3-(4-TETRAHYDROPYRANYL)-3-OXOPROPANOATE COMPOUND AND 4-ACYLTETRAHYDROPYRAN UBE INDUSTRIES LTD 2011-08-04 JP disclosed
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-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-7741497-B2 Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane UBE INDUSTRIES, LTD. (JP) 2010-06-22 US disclosed
EP-1700852-A4 PROCESSES FOR PRODUCING ALKYL 3-(4-TETRAHYDROPYRANYL)-3-OXOPROPIONATE COMPOUND AND 4-ACYLTETRAHYDROPYRAN UBE INDUSTRIES (JP) 2009-07-22 EP disclosed
EP-1700852-A4 PROCESSES FOR PRODUCING ALKYL 3-(4-TETRAHYDROPYRANYL)-3-OXOPROPIONATE COMPOUND AND 4-ACYLTETRAHYDROPYRAN UBE INDUSTRIES (JP) 2009-07-22 EP 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
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
CN-1898228-A 3- (4-tetrahydropyran) -3-oxopropanoic acid alkyl ester compound and method for preparing 4-acyltetrahydropyran UBE INDUSTRIES (JP) 2007-01-17 CN disclosed
CN-1898228-A 3- (4-tetrahydropyran) -3-oxopropanoic acid alkyl ester compound and method for preparing 4-acyltetrahydropyran UBE INDUSTRIES (JP) 2007-01-17 CN 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
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
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
WO-2005058859-A1 PROCESSES FOR PRODUCING ALKYL 3-(4-TETRAHYDROPYRANYL)-3-OXOPROPIONATE COMPOUND AND 4-ACYLTETRAHYDROPYRAN UBE INDUSTRIES, LTD. (JP) 2005-06-30 WO disclosed
WO-2005058859-A1 PROCESSES FOR PRODUCING ALKYL 3-(4-TETRAHYDROPYRANYL)-3-OXOPROPIONATE COMPOUND AND 4-ACYLTETRAHYDROPYRAN UBE INDUSTRIES, LTD. (JP) 2005-06-30 WO 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 ALDH1A1 312/4885GAA 4637/4885TSHR 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.