SCHEMBL720282

SCHEMBL720282

C=C(C)C(=O)OCCCOP(=O)(O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
THRB P10828 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.36
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
P2RY10 O00398 4/20 0.30
GPR34 Q9UPC5 2/20 0.30

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
SCHEMBL718848 0.97 TSHR (0.51) TSHRTHRBTDP1POLBAPEX1
SCHEMBL719730 0.95 TSHR (0.54) TSHRTHRBTDP1POLBAPEX1
SCHEMBL720387 0.95 TSHR (0.54) TSHRTHRBTDP1POLBAPEX1
SCHEMBL718486 0.95 TSHR (0.54) TSHRTHRBTDP1POLBAPEX1
SCHEMBL1264169 0.90 THRB (0.47) TSHRTHRBTDP1POLBAPEX1
SCHEMBL15412 0.82 TSHR (0.55) TSHRTHRBTDP1POLBAPEX1
SCHEMBL15486 0.82 TSHR (0.55) TSHRTHRBTDP1POLBAPEX1
Phosphoric Acid SCHEMBL3464242 0.81 TSHR (0.62) TSHRTHRBTDP1POLBAPEX1
Methacrylic Acid SCHEMBL17457864 0.81 TSHR (0.50) TSHRTHRBTDP1POLBAPEX1
SCHEMBL3681594 0.81 TSHR (0.51) TSHRTHRBTDP1POLBAPEX1

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 11 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-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-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 (1 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-20090048426-A1 POLYMERIZABLE PHOSPHONIC ACID DERIVATIVE AND ADHESIVE COMPOSITION COMPRISING THE SAME PTK2, ITGA1, ACTN1 TSHR 3260/4885THRB 1372/4885TDP1 1316/4885

“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.