SCHEMBL3208029

SCHEMBL3208029

C=CC(=O)N(CCC)CC(O)CN(CCC)C(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.32
CA1 P00915 2/20 0.31
APP P05067 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
SCHEMBL12254042 0.91 ZDHHC20 (0.40) ZDHHC20ZDHHC2TSHRMAPK1CA12
SCHEMBL8804421 0.85 ZDHHC20 (0.42) ZDHHC20ZDHHC2TSHRMAPK1CA12
SCHEMBL2560026 0.84 ZDHHC20 (0.47) ZDHHC20ZDHHC2TSHRMAPK1CA12
SCHEMBL36287 0.83 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRMAPK1CA12
SCHEMBL11951510 0.83 ZDHHC20 (0.41) ZDHHC20ZDHHC2TSHRMAPK1CA12
SCHEMBL23421740 0.81 ZDHHC20 (0.49) ZDHHC20ZDHHC2TSHRMAPK1CA12
Hydrogen Sulfide SCHEMBL27807905 0.81 ZDHHC20 (0.49) ZDHHC20ZDHHC2TSHRMAPK1CA12
SCHEMBL410928 0.81 ZDHHC20 (0.48) ZDHHC20ZDHHC2TSHRCA12CA9
SCHEMBL26637773 0.80 ZDHHC20 (0.38) ZDHHC20ZDHHC2TSHRALDH1A1
SCHEMBL9549571 0.80 ZDHHC20 (0.37) ZDHHC20ZDHHC2TSHRMAPK1CA12

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-20100041790-A1 SELF-ETCHING DENTAL MATERIALS BASED ON (METH)ACRYLAMIDE PHOSPHATES IVOCLAR VIVADENT AG (LI) 2010-02-18 US disclosed
US-7622538-B2 Polymerizable dental material, characterized in that it contains at least one (meth)acrylamide phosphate; adhesives, coating materials and composites for dental purposes; hydrolysis-stable IVOCLAR VIVADENT AG (LI) 2009-11-24 US disclosed
EP-1674066-B1 Self-etching dental materials based on (meth)acrylamidophosphates IVOCLAR VIVADENT AG (LI) 2008-08-13 EP disclosed
EP-1674066-A1 Self-etching dental materials based on (meth)acrylamidophosphates Ivoclar Vivadent AG (LI) 2006-06-28 EP disclosed
US-20060135719-A1 Self-etching dental materials based on (METH) acrylamide phosphates IVOCLAR VIVADENT AG (LI) 2006-06-22 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-20100041790-A1 SELF-ETCHING DENTAL MATERIALS BASED ON (METH)ACRYLAMIDE PHOSPHATES MSR1, C1R, HRH3 ZDHHC20 1283/4885ZDHHC2 2312/4885TSHR 2240/4885

“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.