SCHEMBL15218679

SCHEMBL15218679

CC(COC(=O)/C=C/C(=O)O)OCC(C)OC(=O)/C=C/C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.52
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
EGLN3 Q9H6Z9 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
SCHEMBL27407118 1.00 HCAR2 (0.52) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL30268 0.93 HCAR2 (0.59) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL30100815 0.93 HCAR2 (0.59) HCAR2TSHRALDH1A1HPGDGAA
Fumaric Acid SCHEMBL28457704 0.88 HCAR2 (0.53) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL28687483 0.87 HCAR2 (0.56) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL28679999 0.87 HCAR2 (0.47) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL38653096 0.87 HCAR2 (0.47) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL6931716 0.85 HCAR2 (0.48) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL9715001 0.85 HCAR2 (0.48) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL11680234 0.84 HCAR2 (0.49) HCAR2TSHRALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9114079-B2 Polymerizable dental material comprising reactive paste formers, hardened dental material and use thereof KETTENBACH GMBH & CO. KG (DE) 2015-08-25 US disclosed
US-9114079-B2 Polymerizable dental material comprising reactive paste formers, hardened dental material and use thereof KETTENBACH GMBH & CO. KG (DE) 2015-08-25 US disclosed
US-20130225699-A1 Polymerizable Dental Material Comprising Reactive Paste Formers, Hardened Dental Material and Use Thereof KETTENBACH GMBH & CO. KG (DE) 2013-08-29 US disclosed
US-20130225699-A1 Polymerizable Dental Material Comprising Reactive Paste Formers, Hardened Dental Material and Use Thereof KETTENBACH GMBH & CO. KG (DE) 2013-08-29 US 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-20130225699-A1 Polymerizable Dental Material Comprising Reactive Paste Formers, Hardened Dental Material and Use Thereof ME1, ME2, ME3 HCAR2 2400/4885TSHR 4358/4885ALDH1A1 233/4885

“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.