SCHEMBL8892486

SCHEMBL8892486

C=C(C(=O)OOC(C)(C)C)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8893283 0.81
SCHEMBL196496 0.77 DGAT1 (0.33)
SCHEMBL8878766 0.77 TSHR (0.36) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL477327 0.75 TSHR (0.44) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL2884637 0.75 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL14136372 0.72 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL219777 0.72 ALDH1A1 (0.48) ALDH1A1
SCHEMBL9550932 0.72 TSHR (0.39) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL5944187 0.71
SCHEMBL779460 0.71

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
EP-2455059-B1 Polymerisable compound having improved hardening depth IVOCLAR VIVADENT AG (LI) 2014-06-04 EP disclosed
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
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 ALDH1A1 3730/4885TSHR 3716/4885HSD17B10 2914/4885

“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.