SCHEMBL8892386

SCHEMBL8892386

C=CC(=O)OOC(C)(C)CC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.41
TSHR P16473 9/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 6/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
THRA P10827 2/20 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
SCHEMBL8886527 0.85 TSHR (0.38) THRBTSHRHPGDALDH1A1TP53
SCHEMBL3382912 0.81 THRB (0.37) THRBTSHRHPGDALDH1A1
SCHEMBL28073928 0.79 THRB (0.38) THRBTSHRHPGDALDH1A1TP53
SCHEMBL302801 0.78 THRB (0.43) THRBTSHRHPGDALDH1A1TP53
SCHEMBL8881160 0.78 TSHR (0.38) THRBTSHRHPGDALDH1A1TP53
SCHEMBL10784915 0.77 THRB (0.32) THRBTSHRHPGD
SCHEMBL18921583 0.76 HCAR2 (0.31) TSHRALDH1A1TDP1
SCHEMBL30792577 0.76 HCAR2 (0.48) TSHRALDH1A1TP53HSD17B10TDP1
SCHEMBL3890154 0.76 HCAR2 (0.31) TSHRALDH1A1TDP1
SCHEMBL8614980 0.76 TSHR (0.50) THRBTSHRHPGDALDH1A1TP53

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 THRB 1920/4885TSHR 3716/4885HPGD 1427/4885

“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.