SCHEMBL1901317

SCHEMBL1901317

C=C(C)C(=O)OC[C@H](OC(=O)C(=C)C)[C@H](O)CO

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.35
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
SCHEMBL2594005 1.00 TSHR (0.52) TSHRTHRBALDH1A1TDP1
SCHEMBL2838449 0.90 TSHR (0.49) TSHRTHRBALDH1A1TDP1
SCHEMBL2846558 0.89 TSHR (0.47) TSHRTHRBALDH1A1TDP1
SCHEMBL730372 0.89 TSHR (0.47) TSHRTHRBALDH1A1TDP1
SCHEMBL14816371 0.87 TSHR (0.46) TSHRTHRBALDH1A1TDP1
SCHEMBL60549 0.87 TSHR (0.46) TSHRTHRBALDH1A1TDP1
SCHEMBL3678816 0.86 TSHR (0.52) TSHRTHRBALDH1A1TDP1
SCHEMBL60716 0.86 TSHR (0.45) TSHRTHRBALDH1A1TDP1
SCHEMBL11362897 0.86 TSHR (0.45) TSHRTHRBALDH1A1
SCHEMBL10909680 0.86 TSHR (0.45) 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109185-B Inkjet active energy ray-curable composition, three-dimensional object manufacturing method, and three-dimensional object manufacturing apparatus 株式会社理光 2024-08-23 CN disclosed
CN-115109185-A Inkjet active energy ray-curable composition, three-dimensional object manufacturing method, and three-dimensional object manufacturing apparatus 株式会社理光 2022-09-27 CN disclosed
CN-106413666-B Dental cement 可乐丽则武齿科株式会社 2020-07-28 CN disclosed
CN-106456452-B Self-adhesive dental composite resin 可乐丽则武齿科株式会社 2020-01-31 CN disclosed
US-10123947-B2 Dental cement KURARAY NORITAKE DENTAL INC (JP) 2018-11-13 US disclosed
US-9844495-B2 Self-adhesive dental composite resin KURARAY NORITAKE DENTAL INC. (JP) 2017-12-19 US disclosed
US-20170135910-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN KURARAY NORITAKE DENTAL INC. (JP) 2017-05-18 US disclosed
US-20170135909-A1 DENTAL CEMENT KURARAY NORITAKE DENTAL INC. (JP) 2017-05-18 US disclosed
EP-3156032-A1 DENTAL CEMENT Kuraray Noritake Dental Inc. (JP) 2017-04-19 EP disclosed
EP-3156034-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN Kuraray Noritake Dental Inc. (JP) 2017-04-19 EP 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-2112177-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION Kuraray Medical Inc. (JP) 2009-10-28 EP disclosed
EP-2112178-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-0424698-B1 Adsorbent for removing biomacromolecules, particularly LDL and endotoxines, from whole blood in extracorporeal circuit FRESENIUS AG (DE) 1996-12-27 EP disclosed
US-5476715-A Porous carrier material of acrylic and/or methacrylic acid to which are bound organic ligands via a spacer FRESENIUS AG (DE) 1995-12-19 US disclosed
EP-0424698-A1 Adsorbent for removing biomacromolecules, particularly LDL and endotoxines, from whole blood in extracorporeal circuit Fresenius AG (DE) 1991-05-02 EP disclosed
EP-0422686-A2 Aluminate complex and use thereof in photopolymerizable composition and image-forming material FUJI PHOTO FILM CO., LTD. (JP) 1991-04-17 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 (4 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-10123947-B2 Dental cement GRIN1, NR1D1, GRIA1 TSHR 1780/4885THRB 570/4885ALDH1A1 632/4885
US-20170135910-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN ADGRF1, NR1I3, NR1D1 TSHR 1807/4885THRB 532/4885ALDH1A1 225/4885
US-20100048762-A1 COMPOSITION AND DENTAL MATERIAL PHOSPHO1, PDS5B, ITGB5 TSHR 4802/4885THRB 2986/4885ALDH1A1 717/4885
US-20170135909-A1 DENTAL CEMENT GRIN1, NR1D1, GRIA1 TSHR 1780/4885THRB 570/4885ALDH1A1 632/4885

“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.