SCHEMBL19019783

SCHEMBL19019783

C=C(C)C(=O)OCCCCCC(C)(C)OC(=O)C(=C)C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRB P10828 1/20 0.43
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.32
NAAA Q02083 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
RAD52 P43351 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL6829110 1.00 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19019780 0.98 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1162378 0.93 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL21555723 0.91 TSHR (0.49) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7701376 0.89 TSHR (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7706289 0.89 TSHR (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7709308 0.89 TSHR (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7706303 0.88 ALDH1A1 (0.41) TSHRTDP1THRBALDH1A1
SCHEMBL16207848 0.87 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16286674 0.87 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428664-B Method for producing (meth) acrylate compound 株式会社可乐丽 2020-07-10 CN disclosed
CN-107849203-B (meth) acrylic block copolymer 株式会社可乐丽 2020-04-24 CN disclosed
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
EP-3269701-B1 METHOD FOR PRODUCING (METH)ACRYLATE ESTER COMPOUNDS KURARAY CO (JP) 2019-05-08 EP 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 TSHR 3756/4885POLB 287/4885APEX1 444/4885
US-20170290746-A1 DENTAL POLYMERIZABLE COMPOSITION MMAB, GRIN2B, CAD TSHR 3756/4885POLB 287/4885APEX1 444/4885

“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.