SCHEMBL1367290

SCHEMBL1367290

C=C(C)C(=O)OCCCP(=O)(O)CCCOC(=O)C(=C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
THRB P10828 1/20 0.48
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.42
GABBR2 O75899 2/20 0.34
GABBR1 Q9UBS5 2/20 0.34
GABRR1 P24046 1/20 0.34
HPGD P15428 1/20 0.33
CYP3A4 P08684 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
SCHEMBL1366752 0.94 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8398429 0.90 TSHR (0.70) TSHRTHRBPOLBAPEX1HTT
SCHEMBL41489 0.89 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1532875 0.88 THRB (0.52) TSHRTHRBPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL27661293 0.87 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL139045 0.87 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
Phosphoric Acid SCHEMBL3464242 0.86 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14007299 0.85 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22421799 0.85 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11843082 0.85 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123246-B1 ADHESIVE COMPOSITION FOR DENTAL USE TOKUYAMA DENTAL CORP (JP) 2021-06-23 EP disclosed
EP-2305205-B1 DENTAL ADHESIVE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2018-04-11 EP disclosed
US-8796354-B2 Dental adhesive composition TOKUYAMA DENTAL CORPORATION (JP) 2014-08-05 US disclosed
US-8546459-B2 Dental filling/restoration kit TOKUYAMA DENTAL CORPORATION (JP) 2013-10-01 US disclosed
US-8513327-B2 Adhesive composition for dental use TOKUYAMA DENTAL CORPORATION (JP) 2013-08-20 US disclosed
US-20110288195-A1 DENTAL FILLING/RESTORATION KIT TOKUYAMA DENTAL CORPORATION (JP) 2011-11-24 US disclosed
US-20110098375-A1 DENTAL ADHESIVE COMPOSITION TOKUYAMA DENTAL CORPORATION (JP) 2011-04-28 US disclosed
EP-2305205-A1 DENTAL ADHESIVE COMPOSITION Tokuyama Dental Corporation (JP) 2011-04-06 EP disclosed
US-20100317762-A1 ADHESIVE COMPOSITION FOR DENTAL USE TOKUYAMA DENTAL CORPORATION 2010-12-16 US disclosed
EP-2123246-A1 ADHESIVE COMPOSITION FOR DENTAL USE Tokuyama Dental Corporation (JP) 2009-11-25 EP 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 (2 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-20100317762-A1 ADHESIVE COMPOSITION FOR DENTAL USE ITGA1, VMA21, ITGA6 TSHR 1077/4885THRB 259/4885POLB 2366/4885
US-20110098375-A1 DENTAL ADHESIVE COMPOSITION CAD, CDH1, ITGA4 TSHR 2496/4885THRB 628/4885POLB 1223/4885

“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.