SCHEMBL8877342

SCHEMBL8877342

C=C(C)P(=O)(OCC)OOC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HMGCR P04035 2/20 0.34
TSHR P16473 2/20 0.33
NR1I2 O75469 2/20 0.33
PPARD Q03181 2/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL12731355 0.80 TSHR (0.46) CA12CA1CA2CA9HMGCR
SCHEMBL8879203 0.79
SCHEMBL2356791 0.68 TSHR (0.48) CA12CA1CA2CA9HMGCR
SCHEMBL2491743 0.68 TSHR (0.48) CA12CA1CA2CA9HMGCR
SCHEMBL11313184 0.68 CA12 (0.35) CA12CA1CA2CA9HMGCR
SCHEMBL8346052 0.66
SCHEMBL491379 0.66 CA12 (0.44) CA12CA1CA2CA9TSHR
SCHEMBL25291415 0.65 TSHR (0.43) CA12CA1CA2CA9HMGCR
SCHEMBL4904063 0.65 TSHR (0.43) CA12CA1CA2CA9HMGCR
SCHEMBL10387762 0.65 TP53 (0.46) CA12CA1CA2CA9HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557888-B2 Polymerizable compositions with improved through-curing depth IVOCLAR VIVADENT AG (LI) 2013-10-15 US disclosed
US-8557888-B2 Polymerizable compositions with improved through-curing depth IVOCLAR VIVADENT AG (LI) 2013-10-15 US disclosed
US-20120302657-A1 Polymerizable compositions with improved through-curing depth IVOCLAR VIVADENT AG (LI) 2012-11-29 US disclosed
US-20120302657-A1 Polymerizable compositions with improved through-curing depth IVOCLAR VIVADENT AG (LI) 2012-11-29 US disclosed
EP-2455059-A1 Polymerisable compound having improved hardening depth Ivoclar Vivadent AG (LI) 2012-05-23 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 (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-20120302657-A1 Polymerizable compositions with improved through-curing depth NR4A2, NR2C2, NOS2 CA12 736/4885CA1 754/4885CA2 1129/4885

“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.