SCHEMBL2608181

SCHEMBL2608181

C=CC(=O)OCCOC(=O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.61
ALDH1A1 P00352 4/20 0.61
TP53 P04637 3/20 0.61
HIF1A Q16665 3/20 0.61
HSD17B10 Q99714 1/20 0.61
CYP3A4 P08684 2/20 0.56
HPGD P15428 1/20 0.55
THRB P10828 5/20 0.50
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
THRA P10827 1/20 0.32

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
SCHEMBL2608255 0.94 TSHR (0.73) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2608176 0.92 TSHR (0.69) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2608168 0.90 TSHR (0.73) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11920343 0.87 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2608250 0.85 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18020988 0.85 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2635313 0.83 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2440885 0.83 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13536950 0.83 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30604742 0.83 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117119996-A Material package for denture base and method for producing denture 德山齿科株式会社 2023-11-24 CN disclosed
US-20230004079-A1 CURABLE COMPOSITION, KIT, INTERLAYER, LAMINATE, IMPRINT PATTERN PRODUCING METHOD, AND METHOD FOR MANUFACTURING DEVICE FUJIFILM CORPORATION (JP) 2023-01-05 US disclosed
CN-109562025-B Powder-liquid type inner material for denture base 株式会社德山齿科 2022-03-22 CN disclosed
CN-112654643-B Photocurable composition, backing material for artificial teethridge, and kit for preparing same TOKUYAMA DENTAL CORP. (JP) 2021-08-31 CN disclosed
CN-112654643-A Photocurable composition, backing material for artificial teethridge, and kit for preparing same 株式会社德山齿科 2021-04-13 CN disclosed
WO-2020059399-A1 PHOTOCURABLE COMPOSITION, DENTAL PLATE LINER, AND KIT FOR PREPARING THESE 株式会社トクヤマデンタル 2020-03-26 WO disclosed
WO-2020040039-A1 POLYMERIZATION APPARATUS 株式会社トクヤマデンタル 2020-02-27 WO disclosed
CN-109562025-A Powder liquid type basal seat area built-in material 株式会社德山齿科 2019-04-02 CN disclosed
US-20180030342-A1 PHOTO-CROSSLINKABLE EMISSIVE MOLECULAR MATERIALS NANTES UNIVERSITE (FR) 2018-02-01 US disclosed
US-8524116-B2 Multilayer sheet containing optically anisotropic layer containing liquid crystal compound and cellulose ester with polymer FUJIFILM CORPORATION (JP) 2013-09-03 US disclosed
US-8262932-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, polymer and film FUJIFILM CORPORATION (JP) 2012-09-11 US disclosed
US-8262931-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, polymer and film FUJIFILM CORPORATION (JP) 2012-09-11 US disclosed
US-8158021-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, liquid crystalline polymer, and optical anisotropic article ZEON CORPORATION (JP) 2012-04-17 US disclosed
US-20110233464-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed
US-20110237768-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed
US-20110237768-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed
US-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS ZEON CORPORATION (JP) 2011-06-16 US disclosed
US-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS ZEON CORPORATION (JP) 2011-06-16 US disclosed
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE ZEON CORPORATION (JP) 2010-10-14 US disclosed
US-20070026282-A1 Polymer Electrolyte Membrane, Process For Production Thereof, Polymer Electrolyte, Electrolyte Composition, Membrane-Electrode Assembly, And Fuel Cell CANON KABUSHIKI KAISHA (JP) 2007-02-01 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 (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-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS CCNB1, CCNT1, CCNB2 TSHR 4683/4885ALDH1A1 1445/4885TP53 1855/4885
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 TSHR 4760/4885ALDH1A1 2720/4885TP53 3643/4885
US-20180030342-A1 PHOTO-CROSSLINKABLE EMISSIVE MOLECULAR MATERIALS TYR, PNMT, INMT TSHR 3177/4885ALDH1A1 257/4885TP53 4286/4885
US-20110237768-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM SCO2, NR0B2, NR0B1 TSHR 2025/4885ALDH1A1 4245/4885TP53 3636/4885

“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.