SCHEMBL720774

SCHEMBL720774

C=C(C)C(=O)OCCCCOC(=O)CCP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
HTR2C P28335 1/20 0.34
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 0.33
PLA2G2A P14555 2/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL719673 0.98 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1173876 0.98 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL717824 0.98 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL722552 0.98 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3446714 0.98 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL23064056 0.98 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22878827 0.89 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL13109395 0.89 TSHR (0.51) TSHRPOLBAPEX1HTTTDP1
SCHEMBL294789 0.86 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL13109397 0.86 TSHR (0.53) 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848418-B1 DENTAL CURABLE COMPOSITION AND METHOD FOR PRODUCING DENTAL CURABLE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2024-05-22 EP disclosed
US-20220169844-A1 COMPOSITE PARTICLES, KIT, MATERIAL, AND METHOD FOR PRODUCING COMPOSITE PARTICLES SUN MEDICAL CO., LTD. (JP) 2022-06-02 US disclosed
EP-3415539-B1 POLYMERIZABLE COMPOSITION AND KIT THEREOF, AND POLYMERIZATION INITIATOR SUN MEDICAL CO LTD (JP) 2022-03-30 EP disclosed
EP-3508190-B1 LIGHT CURABLE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2022-02-09 EP disclosed
EP-3613779-B1 CURABLE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2021-11-24 EP disclosed
US-20210324178-A1 COMPOSITE MATERIAL, CURABLE COMPOSITION, AND METHOD FOR PRODUCING CURABLE COMPOSITION TOKUYAMA DENTAL CORPORATION (JP) 2021-10-21 US disclosed
US-11130864-B2 Polymerizable composition and kit, and polymerization initiator SUN MEDICAL CO., LTD. (JP) 2021-09-28 US disclosed
US-11078303-B2 Curable composition TOKUYAMA DENTAL CORPORATION (JP) 2021-08-03 US disclosed
US-11065183-B2 Curable composition TOKUYAMA DENTAL CORPORATION (JP) 2021-07-20 US disclosed
EP-3848418-A1 COMPOSITE MATERIAL, CURABLE COMPOSITION, AND METHOD FOR PRODUCING CURABLE COMPOSITION Tokuyama Dental Corporation (JP) 2021-07-14 EP disclosed
EP-2609940-A1 THERAPEUTIC AGENT FOR PULMONARY EMPHYSEMA Terumo Kabushiki Kaisha (JP) 2013-07-03 EP disclosed
US-8158694-B2 Single component dental composition containing silane coupling agent and acidic group containing polymerizable monomer KABUSHIKI KAISHA SHOFU (JP) 2012-04-17 US disclosed
US-20120053566-A1 METHOD FOR TREATMENT OF EMPHYSEMA TERUMO KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-20120053513-A1 METHOD FOR TREATMENT OF EMPHYSEMA TERUMO KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-20110112209-A1 SINGLE-COMPONENT DENTAL COMPOSITION CONTAINING SILANE COUPLING AGENT AND ACIDIC GROUP-CONTAINING POLYMERIZABLE MONOMER TANAKA HISAKI 2011-05-12 US disclosed
US-7776936-B2 One-pack type dental adhesive composition KABUSHIKI KAISHA SHOFU (JP) 2010-08-17 US disclosed
US-20100069524-A1 Single-Component dental composition containing silane coupling agent and acidic group-containing polymerizable monomer KABUSHIKI KAISHA SHOFU 2010-03-18 US disclosed
US-20090076182-A1 One-pack type dental adhesive composition KABUSHIKI KAISHA SHOFU (JP) 2009-03-19 US disclosed
EP-2036532-A2 One pack type dental adhesive composition Kabushiki Kaisha Shofu (JP) 2009-03-18 EP disclosed
US-20090048426-A1 POLYMERIZABLE PHOSPHONIC ACID DERIVATIVE AND ADHESIVE COMPOSITION COMPRISING THE SAME KABUSHIKI KAISHA SHOFU (JP) 2009-02-19 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 (5 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-20100069524-A1 Single-Component dental composition containing silane coupling agent and acidic group-containing polymerizable monomer CAD, ITGA1, CIB1 TSHR 4642/4885POLB 3832/4885APEX1 2551/4885
US-11130864-B2 Polymerizable composition and kit, and polymerization initiator KIT, MCM7, EPHA7 TSHR 4807/4885POLB 64/4885APEX1 4317/4885
US-20110112209-A1 SINGLE-COMPONENT DENTAL COMPOSITION CONTAINING SILANE COUPLING AGENT AND ACIDIC GROUP-CONTAINING POLYMERIZABLE MONOMER CAD, ITGA1, CIB1 TSHR 4642/4885POLB 3832/4885APEX1 2551/4885
US-20090076182-A1 One-pack type dental adhesive composition DSC1, ITGA1, CAD TSHR 4689/4885POLB 3491/4885APEX1 1322/4885
US-20090048426-A1 POLYMERIZABLE PHOSPHONIC ACID DERIVATIVE AND ADHESIVE COMPOSITION COMPRISING THE SAME PTK2, ITGA1, ACTN1 TSHR 3260/4885POLB 689/4885APEX1 211/4885

“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.