SCHEMBL14768554

SCHEMBL14768554

C=CC(=C)COC(=O)C(=C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 12/20 0.47
THRB P10828 1/20 0.44
ALDH1A1 P00352 8/20 0.41
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL14346478 0.83 TSHR (0.47) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL504457 0.82
Acrylic Acid SCHEMBL9805941 0.79 TSHR (0.44) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL14533405 0.78 TSHR (0.42) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL10647766 0.78 TDP1 (0.49) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL21313125 0.77 TSHR (0.54) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL587102 0.77 TSHR (0.54) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL9704499 0.77 TSHR (0.54) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1389549 0.77 TSHR (0.54) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL5098395 0.77 TSHR (0.54) TSHRTHRBALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117242103-A Methyl methacrylate-containing composition and method for producing methyl methacrylate polymer 三菱化学株式会社 2023-12-15 CN disclosed
US-9668946-B2 Dental materials based on monomers having debonding-on-demand properties IVOCLAR VIVADENT AG (LI) 2017-06-06 US disclosed
US-9668946-B2 Dental materials based on monomers having debonding-on-demand properties IVOCLAR VIVADENT AG (LI) 2017-06-06 US disclosed
US-9668946-B2 Dental materials based on monomers having debonding-on-demand properties IVOCLAR VIVADENT AG (LI) 2017-06-06 US disclosed
US-20140329929-A1 DENTAL MATERIALS BASED ON MONOMERS HAVING DEBONDING-ON-DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2014-11-06 US disclosed
US-20140329929-A1 DENTAL MATERIALS BASED ON MONOMERS HAVING DEBONDING-ON-DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2014-11-06 US disclosed
US-20140329929-A1 DENTAL MATERIALS BASED ON MONOMERS HAVING DEBONDING-ON-DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2014-11-06 US disclosed
CN-103781456-A Dental materials based on monomers having debonding-on-demand properties IVOCLAR VIVADENT AG 2014-05-07 CN disclosed
WO-2013034777-A2 DENTAL MATERIALS BASED ON MONOMERS HAVING DEBONDING-ON-DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2013-03-14 WO 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-20140329929-A1 DENTAL MATERIALS BASED ON MONOMERS HAVING DEBONDING-ON-DEMAND PROPERTIES RCOR3, NR2E1, RER1 TSHR 2377/4885THRB 1362/4885ALDH1A1 2322/4885

“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.