SCHEMBL2846558

SCHEMBL2846558

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4A P27815 1/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL730372 1.00 TSHR (0.47) TSHRLMNAL3MBTL1PDE4ATHRB
SCHEMBL2838449 0.95 TSHR (0.49) TSHRLMNAL3MBTL1PDE4ATHRB
SCHEMBL1901317 0.89 TSHR (0.52) TSHRTHRBTDP1ALDH1A1
SCHEMBL2594005 0.89 TSHR (0.52) TSHRTHRBTDP1ALDH1A1
SCHEMBL60716 0.88 TSHR (0.45) TSHRTHRBTDP1ALDH1A1
SCHEMBL10909680 0.88 TSHR (0.45) TSHRTHRBTDP1ALDH1A1
SCHEMBL9791630 0.88 TSHR (0.36) TSHRLMNAL3MBTL1PDE4ATHRB
SCHEMBL193930 0.85 TSHR (0.55) TSHRLMNAL3MBTL1PDE4ATHRB
SCHEMBL306870 0.85 TSHR (0.55) TSHRLMNAL3MBTL1PDE4ATHRB
SCHEMBL346928 0.85 TSHR (0.55) TSHRLMNAL3MBTL1PDE4ATHRB

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3214178-B1 POLYOL-BASED OSMOTIC POLYDIXYLITOL POLYMER BASED GENE TRANSPORTER AND USE THEREOF SEOUL NAT UNIV R&DB FOUNDATION (KR) 2023-10-04 EP 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-10086083-B2 Polyol-based osmotic polydixylitol polymer gene transporter and use thereof SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2018-10-02 US disclosed
US-9844495-B2 Self-adhesive dental composite resin KURARAY NORITAKE DENTAL INC. (JP) 2017-12-19 US disclosed
EP-3214178-A1 POLYOL-BASED OSMOTIC POLYDIXYLITOL POLYMER BASED GENE TRANSPORTER AND USE THEREOF Seoul National University R&DB Foundation (KR) 2017-09-06 EP disclosed
US-20170246309-A1 POLYOL-BASED OSMOTIC POLYDIXYLITOL POLYMER GENE TRANSPORTER AND USE THEREOF SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2017-08-31 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
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
CN-101636420-A Polymerizable monomer, polymerizable composition and dental material KURARAY MEDICAL INC (JP) 2010-01-27 CN disclosed
CN-101595138-A Polymerizable monomer-containing composition KURARAY MEDICAL INC (JP) 2009-12-02 CN disclosed
CN-101595139-A Polymerizable monomer-containing composition KURARAY MEDICAL INC (JP) 2009-12-02 CN disclosed
CN-101589070-A Composition and dental material KURARAY MEDICAL INC (JP) 2009-11-25 CN 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-2108663-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
EP-2108664-A1 COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 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 (6 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 1780/4885LMNA 4432/4885L3MBTL1 3675/4885
US-20170135910-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN ADGRF1, NR1I3, NR1D1 TSHR 1807/4885LMNA 3994/4885L3MBTL1 3767/4885
US-20100048762-A1 COMPOSITION AND DENTAL MATERIAL PHOSPHO1, PDS5B, ITGB5 TSHR 4802/4885LMNA 2758/4885L3MBTL1 2923/4885
US-10086083-B2 Polyol-based osmotic polydixylitol polymer gene transporter and use thereof SLC22A3, SLC22A12, SLC22A11 TSHR 4065/4885LMNA 3042/4885L3MBTL1 885/4885
US-20170246309-A1 POLYOL-BASED OSMOTIC POLYDIXYLITOL POLYMER GENE TRANSPORTER AND USE THEREOF SLC22A3, SLC22A12, SLC22A11 TSHR 4065/4885LMNA 3042/4885L3MBTL1 885/4885
US-20170135909-A1 DENTAL CEMENT GRIN1, NR1D1, GRIA1 TSHR 1780/4885LMNA 4432/4885L3MBTL1 3675/4885

“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.