SCHEMBL8737819

SCHEMBL8737819

C=CC(=O)OCCOC(=O)NCC1CCCC(CNC(=O)OCCOC(=O)C=C)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.38
THRB P10828 2/20 0.36
EPHX1 P07099 2/20 0.33
NPC1 O15118 1/20 0.33
NAAA Q02083 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EGFR P00533 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL18123361 1.00 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18123366 0.96 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18123356 0.96 TSHR (0.49) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL15691896 0.94 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL20034124 0.91 TSHR (0.37) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL24089170 0.90 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19847411 0.90 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8738485 0.90 TSHR (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11513872 0.89 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19847468 0.88 TSHR (0.44) 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866590-B2 Diisocyanate-based radical polymerizable silane coupling compound having an urethane bond KABUSHIKI KAISHA SHOFU (JP) 2024-01-09 US disclosed
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers MITSUI CHEMICALS, INC. (JP) 2023-10-17 US disclosed
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers MITSUI CHEMICALS, INC. (JP) 2023-10-17 US disclosed
US-20220304901-A1 PHOTOPOLYMERIZABLE RESIN COMPOSITIONS FOR DURABLE DENTAL PROSTHETIC AND RESTORATIVE ARTICLES DENTSPLY SIRONA INC. (US) 2022-09-29 US disclosed
US-11311462-B2 Adhesive monomers for dental materials MITSUI CHEMICALS, INC. (JP) 2022-04-26 US disclosed
US-20210395532-A1 DIISOCYANATE-BASED RADICAL POLYMERIZABLE SILANE COUPLING COMPOUND HAVING AN URETHANE BOND KABUSHIKI KAISHA SHOFU (JP) 2021-12-23 US disclosed
US-20210378919-A1 DENTAL POLYFUNCTIONAL MONOMERS AND DENTAL HYDROXYL GROUP-CONTAINING MONOMERS MITSUI CHEMICALS, INC. (JP) 2021-12-09 US disclosed
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits MITSUI CHEMICALS, INC. (JP) 2021-09-07 US disclosed
US-20200030194-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS MITSUI CHEMICALS, INC. (JP) 2020-01-30 US disclosed
US-10470980-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits MITSUI CHEMICALS, INC. (JP) 2019-11-12 US disclosed
US-20150079379-A1 POLYMERIZABLE COMPOSITION, POLYMER, OPTICAL ADHESIVE SHEET, IMAGE DISPLAY DEVICE, AND METHOD FOR MANUFACTURING IMAGE DISPLAY DEVICE SHOWA DENKO K.K. (JP) 2015-03-19 US disclosed
US-20150079379-A1 POLYMERIZABLE COMPOSITION, POLYMER, OPTICAL ADHESIVE SHEET, IMAGE DISPLAY DEVICE, AND METHOD FOR MANUFACTURING IMAGE DISPLAY DEVICE SHOWA DENKO K.K. (JP) 2015-03-19 US disclosed
US-20150005406-A1 URETHANE (METH)ACRYLATE AND MOISTURE-PROOF INSULATING COATING MATERIAL SHOWA DENKO K.K. (JP) 2015-01-01 US disclosed
US-20150005406-A1 URETHANE (METH)ACRYLATE AND MOISTURE-PROOF INSULATING COATING MATERIAL SHOWA DENKO K.K. (JP) 2015-01-01 US disclosed
US-20140287167-A1 POLYMERIZABLE COMPOSITION, POLYMER, IMAGE-DISPLAY DEVICE, AND MANUFACTURING METHOD THEREFOR SHOWA DENKO K.K. (JP) 2014-09-25 US disclosed
US-20140287167-A1 POLYMERIZABLE COMPOSITION, POLYMER, IMAGE-DISPLAY DEVICE, AND MANUFACTURING METHOD THEREFOR SHOWA DENKO K.K. (JP) 2014-09-25 US disclosed
WO-2014069134-A1 POLYMERIZABLE COMPOSITION, POLYMER, OPTICAL ADHESIVE SHEET, IMAGE DISPLAY DEVICE AND PRODUCTION METHOD FOR SAME 昭和電工株式会社 (JP) 2014-05-08 WO disclosed
WO-2012071329-A2 HIGH STRENGTH DENTAL MATERIAL DENTSPLY INTERNATIONAL INC (US) 2012-05-31 WO disclosed
US-20120129973-A1 HIGH STRENGTH DENTAL MATERIAL DENTSPLY INTERNATIONAL INC (US) 2012-05-24 US disclosed
US-20120129973-A1 HIGH STRENGTH DENTAL MATERIAL DENTSPLY INTERNATIONAL INC (US) 2012-05-24 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 (10 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-20200030194-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS ACTN1, SMCHD1, CAPZA1 TSHR 4160/4885ALDH1A1 302/4885TP53 4439/4885
US-10470980-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits HRH3, HRH1, HRH2 TSHR 861/4885ALDH1A1 394/4885TP53 3656/4885
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers PAM, CAD, FHIT TSHR 2948/4885ALDH1A1 1173/4885TP53 2612/4885
US-20210378919-A1 DENTAL POLYFUNCTIONAL MONOMERS AND DENTAL HYDROXYL GROUP-CONTAINING MONOMERS PAM, CAD, FHIT TSHR 2948/4885ALDH1A1 1173/4885TP53 2612/4885
US-11866590-B2 Diisocyanate-based radical polymerizable silane coupling compound having an urethane bond CAD, DCLRE1A, STIM1 TSHR 4002/4885ALDH1A1 1898/4885TP53 2770/4885
US-20220304901-A1 PHOTOPOLYMERIZABLE RESIN COMPOSITIONS FOR DURABLE DENTAL PROSTHETIC AND RESTORATIVE ARTICLES KDM3A, PSMA3, NOX3 TSHR 4305/4885ALDH1A1 2106/4885TP53 2292/4885
US-11311462-B2 Adhesive monomers for dental materials COL1A1, CDH1, GJA1 TSHR 4250/4885ALDH1A1 836/4885TP53 3501/4885
US-20120129973-A1 HIGH STRENGTH DENTAL MATERIAL SMCHD1, CAD, DSG1 TSHR 4776/4885ALDH1A1 4268/4885TP53 3158/4885
US-20210395532-A1 DIISOCYANATE-BASED RADICAL POLYMERIZABLE SILANE COUPLING COMPOUND HAVING AN URETHANE BOND CAD, DCLRE1A, STIM1 TSHR 4002/4885ALDH1A1 1898/4885TP53 2770/4885
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits ACTN1, SMCHD1, CAPZA1 TSHR 4160/4885ALDH1A1 302/4885TP53 4439/4885

“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.