SCHEMBL21422397

SCHEMBL21422397

C=C(C)C(=O)OCCOC(=O)c1ccc(C2(c3ccc(C(=O)OCCOC(=O)C(=C)C)cc3)CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
THRB P10828 1/20 0.39
ESR1 P03372 4/20 0.38
ESR2 Q92731 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL10886240 0.83 ADORA3 (0.44) CA1CA2ADORA3TDP1POLB
SCHEMBL1696749 0.83 TDP1 (0.54) CA1CA2TDP1POLBAPEX1
SCHEMBL19940602 0.81 POLB (0.55) CA1CA2ADORA3TDP1POLB
SCHEMBL19940074 0.81 POLB (0.55) CA1CA2ADORA3TDP1POLB
SCHEMBL23520574 0.80 POLB (0.40) CA1CA2ADORA3TDP1POLB
SCHEMBL2602555 0.79 ADORA3 (0.39) CA1CA2ADORA3TDP1POLB
SCHEMBL2602534 0.79 ADORA3 (0.37) CA1CA2ADORA3TDP1POLB
SCHEMBL16351931 0.78 TDP1 (0.50) CA1CA2TDP1POLBAPEX1
SCHEMBL16351937 0.78 TDP1 (0.50) CA1CA2TDP1POLBAPEX1
SCHEMBL21880307 0.77 TSHR (0.38) CA1CA2ADORA3TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190300472-A1 POLYMERIZABLE MONOMER, METHOD OF PRODUCING POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER TOKUYAMA DENTAL CORPORATION (JP) 2019-10-03 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-20190300472-A1 POLYMERIZABLE MONOMER, METHOD OF PRODUCING POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER CHRM1, CHRM2, H1-0 CA1 342/4885CA2 1506/4885ADORA3 839/4885

“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.