SCHEMBL3709230

SCHEMBL3709230

C=CC(=O)N(CC)CC(C)N(CC)C(=O)C=C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
PSMB5 P28074 2/20 0.33
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL27965429 0.81 TSHR (0.39) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL28095838 0.81 CA12 (0.43) ZDHHC20ZDHHC2PSMB5ALDH1A1TSHR
SCHEMBL27856870 0.79 ZDHHC20 (0.37) ZDHHC20ZDHHC2PSMB5ALDH1A1TSHR
SCHEMBL93376 0.77 ZDHHC20 (0.38) ZDHHC20ZDHHC2PSMB5ALDH1A1TSHR
SCHEMBL460923 0.77 TSHR (0.42) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL14880 0.76
SCHEMBL14542177 0.76 ZDHHC20 (0.37) ZDHHC20ZDHHC2PSMB5ALDH1A1TSHR
SCHEMBL6682280 0.75 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL1881902 0.75 TSHR (0.36) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL22420161 0.74 ZDHHC20 (0.39) ZDHHC20ZDHHC2PSMB5ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081541-B1 MICROENCAPSULATED PHOTO-INITIATORS AND THE USE THEREOF FOR DENTAL MATERIALS IVOCLAR VIVADENT AG (LI) 2012-07-04 EP disclosed
US-20120123012-A1 MICROENCAPSULATED PHOTOINITIATORS AND THE USE THEREOF FOR DENTAL MATERIALS. IVOCLAR VIVADENT AG 2012-05-17 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-20120123012-A1 MICROENCAPSULATED PHOTOINITIATORS AND THE USE THEREOF FOR DENTAL MATERIALS. PHOSPHO1, PPIP5K2, MBOAT1 ZDHHC20 982/4885ZDHHC2 1626/4885PSMB5 1266/4885

“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.