SCHEMBL718848

SCHEMBL718848

C=C(C)C(=O)OCCCCOP(=O)(O)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.36
LPAR3 Q9UBY5 4/20 0.33
LPAR2 Q9HBW0 3/20 0.33
LPAR1 Q92633 2/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL718486 0.98 TSHR (0.54) TSHRTDP1POLBAPEX1HTT
SCHEMBL720387 0.98 TSHR (0.54) TSHRTDP1POLBAPEX1HTT
SCHEMBL719730 0.98 TSHR (0.54) TSHRTDP1POLBAPEX1HTT
SCHEMBL720282 0.97 TSHR (0.47) TSHRTDP1POLBAPEX1HTT
SCHEMBL1264169 0.90 THRB (0.47) TSHRTDP1POLBAPEX1HTT
SCHEMBL3681594 0.84 TSHR (0.51) TSHRTDP1POLBAPEX1HTT
SCHEMBL40720 0.82 TSHR (0.59) TSHRTDP1POLBAPEX1HTT
SCHEMBL345781 0.82 TSHR (0.59) TSHRTDP1POLBAPEX1HTT
SCHEMBL346466 0.80 TSHR (0.62) TSHRTDP1POLBAPEX1HTT
SCHEMBL7073886 0.80 TSHR (0.62) TSHRTDP1POLBAPEX1HTT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2902007-B1 DENTAL FILLING REPAIRING MATERIAL TOKUYAMA DENTAL CORP (JP) 2019-01-09 EP disclosed
US-9533070-B2 Therapeutic agent for pulmonary emphysema TERUMO KABUSHIKI KAISHA (JP) 2017-01-03 US disclosed
US-9192693-B2 Method for treatment of emphysema TERUMO KABUSHIKI KAISHA (JP) 2015-11-24 US disclosed
US-20150272833-A1 Dental Restorative Material TOKUYAMA DENTAL CORPORATION (JP) 2015-10-01 US disclosed
EP-2902007-A1 DENTAL FILLING REPAIRING MATERIAL Tokuyama Dental Corporation (JP) 2015-08-05 EP disclosed
US-8835675-B2 Polymerizable phosphonic acid derivative and adhesive composition comprising the same KABUSHIKI KAISHA SHOFU (JP) 2014-09-16 US disclosed
US-20130178426-A1 THERAPEUTIC AGENT FOR PULMONARY EMPHYSEMA TERUMO KABUSHIKI KAISHA (JP) 2013-07-11 US 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 (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-20100069524-A1 Single-Component dental composition containing silane coupling agent and acidic group-containing polymerizable monomer CAD, ITGA1, CIB1 TSHR 4642/4885TDP1 4439/4885POLB 3832/4885
US-20110112209-A1 SINGLE-COMPONENT DENTAL COMPOSITION CONTAINING SILANE COUPLING AGENT AND ACIDIC GROUP-CONTAINING POLYMERIZABLE MONOMER CAD, ITGA1, CIB1 TSHR 4642/4885TDP1 4439/4885POLB 3832/4885
US-20090076182-A1 One-pack type dental adhesive composition DSC1, ITGA1, CAD TSHR 4689/4885TDP1 3567/4885POLB 3491/4885
US-20090048426-A1 POLYMERIZABLE PHOSPHONIC ACID DERIVATIVE AND ADHESIVE COMPOSITION COMPRISING THE SAME PTK2, ITGA1, ACTN1 TSHR 3260/4885TDP1 1316/4885POLB 689/4885

“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.