SCHEMBL5575258

SCHEMBL5575258

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
HPGD P15428 1/20 0.48
THRB P10828 3/20 0.38
FAAH O00519 5/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CA2 P00918 3/20 0.35
CA1 P00915 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
THRA P10827 1/20 0.35
ATM Q13315 1/20 0.34
MAPK1 P28482 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
CTSK P43235 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
SCHEMBL185499 0.83 TSHR (0.53) TSHRHPGDTHRBFAAHALDH1A1
SCHEMBL29143535 0.81 TSHR (0.51) TSHRHPGDTHRBFAAHALDH1A1
Ethylene SCHEMBL28845826 0.81 TSHR (0.51) TSHRHPGDTHRBFAAHALDH1A1
SCHEMBL28568103 0.81 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4MAPK1
SCHEMBL4916378 0.80 TSHR (0.47) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL27471012 0.79 TSHR (0.53) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL448883 0.79 FAAH (0.42) FAAHALDH1A1CA2CA1CNR1
SCHEMBL991328 0.78 FAAH (0.50) TSHRHPGDTHRBFAAHALDH1A1
SCHEMBL11572223 0.77 TSHR (0.53) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL28444211 0.77 TSHR (0.47) TSHRHPGDTHRBFAAHALDH1A1

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 8 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
US-7249723-B2 Organic solvent dispersed nano-talc slurry NGX, INC. (US) 2007-07-31 US disclosed
WO-2007024252-A2 ORGANIC SOLVENT DISPERSED NANO-TALC SLURRY NANOMAT, INC. (US) 2007-03-01 WO disclosed
US-20060086837-A1 Dry milling talc powder, mixing the dry-milled nano-talc powder with an organic solvent andwet milling the nano-talc-solvent mix NGX, INC. 2006-04-27 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-20120302657-A1 Polymerizable compositions with improved through-curing depth NR4A2, NR2C2, NOS2 TSHR 3716/4885HPGD 1427/4885THRB 1920/4885

“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.