SCHEMBL19019795

SCHEMBL19019795

C=C(C)C(=O)OCCC(CC)(CC)OC(=O)C(=C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL19019805 0.90 TSHR (0.54) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19019793 0.88 TSHR (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19019800 0.87 TSHR (0.60) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18596345 0.86 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16291366 0.83 TSHR (0.40) THRBTSHRALDH1A1
SCHEMBL278099 0.82 ALDH1A1 (0.44) THRBTSHRALDH1A1TDP1
SCHEMBL19019778 0.81 ALDH1A1 (0.37) THRBTSHRALDH1A1
SCHEMBL22970167 0.81 TSHR (0.38) THRBTSHRALDH1A1
SCHEMBL22970336 0.81 THRB (0.35) THRBTSHRALDH1A1
SCHEMBL3289040 0.81 LPAR3 (0.37) THRBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3327053-B1 (METH)ACRYLIC BLOCK COPOLYMER KURARAY CO (JP) 2020-03-25 EP disclosed
US-10426712-B2 Dental polymerizable composition KURARAY NORITAKE DENTAL INC. (JP) 2019-10-01 US disclosed
US-20180208700-A1 (METH)ACRYLIC BLOCK COPOLYMER KURARAY CO., LTD. (JP) 2018-07-26 US disclosed
EP-3327053-A1 (METH)ACRYLIC BLOCK COPOLYMER Kuraray Co., Ltd. (JP) 2018-05-30 EP disclosed
US-20170290746-A1 DENTAL POLYMERIZABLE COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2017-10-12 US disclosed
US-20170240739-A1 ACTIVE ENERGY RAY CURABLE COMPOSITIONS KURARAY CO., LTD. (JP) 2017-08-24 US disclosed
EP-3195846-A1 DENTAL POLYMERIZABLE COMPOSITION Kuraray Noritake Dental Inc. (JP) 2017-07-26 EP disclosed
EP-3184563-A1 ACTIVE ENERGY RAY-CURABLE COMPOSITION Kuraray Co., Ltd. (JP) 2017-06-28 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 (2 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-10426712-B2 Dental polymerizable composition MMAB, GRIN2B, CAD THRB 772/4885TSHR 3756/4885ALDH1A1 280/4885
US-20170290746-A1 DENTAL POLYMERIZABLE COMPOSITION MMAB, GRIN2B, CAD THRB 772/4885TSHR 3756/4885ALDH1A1 280/4885

“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.