SCHEMBL3594032

SCHEMBL3594032

CCC(=O)OC(=O)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 2/20 0.33
PPM1B O75688 2/20 0.33
PTPN1 P18031 2/20 0.33
PPP1CC P36873 1/20 0.33
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
LGMN Q99538 1/20 0.32
PDE4D Q08499 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2987771 0.87 MAPT (0.37) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL17423456 0.83 PIK3CD (0.33) POLBHPGDHTTKMT2APIK3CD
SCHEMBL29202436 0.82 TRPA1 (0.30) ALDH1A1
SCHEMBL776049 0.81 ALDH1A1 (0.43) MEN1HTTKMT2AALDH1A1
SCHEMBL7807159 0.79 ALDH1A1 (0.46) MEN1HTTKMT2AALDH1A1
SCHEMBL72855 0.78 MAPT (0.51) POLBPPM1BPTPN1PPP1CCTSHR
SCHEMBL5360827 0.74 PPM1B (0.51) POLBHPGDPPM1BPTPN1PPP1CC
SCHEMBL3602581 0.74 POLB (0.39) POLBHPGDPKMMEN1HTT
SCHEMBL74560 0.74 TP53 (0.47) POLBPPM1BPTPN1PPP1CCMAPT
SCHEMBL8394206 0.73 NAAA (0.42) HTTPIK3CDTSHRPDE4D

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 POLB 3600/4885HPGD 221/4885PKM 2696/4885

“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.