SCHEMBL2845656

SCHEMBL2845656

C=C(C)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(=C)C

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
THRB P10828 1/20 0.44
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2845172 0.96 TSHR (0.63) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL346928 0.92 TSHR (0.55) TSHRTHRBALDH1A1TDP1
SCHEMBL193930 0.92 TSHR (0.55) TSHRTHRBALDH1A1TDP1
SCHEMBL15871913 0.92 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL306870 0.92 TSHR (0.55) TSHRTHRBALDH1A1TDP1
SCHEMBL22372450 0.92 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2585229 0.91 TSHR (0.68) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL20854815 0.91 TSHR (0.68) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL306496 0.88 TSHR (0.55) TSHRTHRBALDH1A1TDP1
SCHEMBL1426922 0.88 TSHR (0.55) TSHRTHRBALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2108664-B1 DENTAL COMPOSITION KURARAY NORITAKE DENTAL INC (JP) 2016-11-16 EP disclosed
US-20100130682-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION, AND DENTAL MATERIAL KURARAY MEDICAL INC. (JP) 2010-05-27 US disclosed
US-20100130682-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION, AND DENTAL MATERIAL KURARAY MEDICAL INC. (JP) 2010-05-27 US disclosed
US-20100130682-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION, AND DENTAL MATERIAL KURARAY MEDICAL INC. (JP) 2010-05-27 US disclosed
US-20100048761-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION KURARAY MEDICAL INC. (JP) 2010-02-25 US disclosed
US-20100048762-A1 COMPOSITION AND DENTAL MATERIAL KURARAY MEDICAL INC. (JP) 2010-02-25 US disclosed
US-20100036075-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION KURARAY MEDICAL INC. (JP) 2010-02-11 US disclosed
EP-2112178-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION Kuraray Medical Inc. (JP) 2009-10-28 EP disclosed
EP-2112177-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION Kuraray Medical Inc. (JP) 2009-10-28 EP disclosed
EP-2108664-A1 COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
EP-2108663-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
EP-2108663-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
US-4340483-A Polar polymeric sorbent based on glycidyl esters for gas and liquid chromatography CESKOSLOVENSKA AKADEMIE VED (CS) 1982-07-20 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 (3 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-20100048761-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION WDR82, PWWP2B, WDR5 TSHR 4883/4885THRB 4280/4885ALDH1A1 2410/4885
US-20100048762-A1 COMPOSITION AND DENTAL MATERIAL PHOSPHO1, PDS5B, ITGB5 TSHR 4802/4885THRB 2986/4885ALDH1A1 717/4885
US-20100130682-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION, AND DENTAL MATERIAL SMCHD1, MLEC, PGA5 TSHR 4786/4885THRB 4316/4885ALDH1A1 3709/4885

“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.