SCHEMBL19636115

SCHEMBL19636115

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
PSMB5 P28074 2/20 0.35
LMNA P02545 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL18458050 0.92 ALDH1A1 (0.39) ZDHHC20ZDHHC2ALDH1A1TSHRPSMB5
SCHEMBL8040319 0.86 ALDH1A1 (0.45) ZDHHC20ZDHHC2ALDH1A1TSHRPSMB5
SCHEMBL14880 0.85
SCHEMBL16098956 0.84 ZDHHC20 (0.39) ZDHHC20ZDHHC2ALDH1A1TSHRPSMB5
Ammonia Solution, Strong SCHEMBL28481040 0.83 ZDHHC20 (0.43) ZDHHC20ZDHHC2ALDH1A1TSHRPSMB5
SCHEMBL18705058 0.83 ZDHHC20 (0.45) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL18705059 0.83 ZDHHC20 (0.45) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL2004205 0.81 ZDHHC20 (0.46) ZDHHC20ZDHHC2ALDH1A1TSHRPSMB5
SCHEMBL423989 0.79
SCHEMBL15617163 0.79 ALDH1A1 (0.46) ZDHHC20ZDHHC2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11000454-B2 Dental composition DENTSPLY SIRONA INC. (US) 2021-05-11 US disclosed
US-20190117523-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2019-04-25 US disclosed
WO-2017198840-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2017-11-23 WO 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 (2 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-11000454-B2 Dental composition PPIP5K2, INPP5D, DCPS ZDHHC20 1646/4885ZDHHC2 2407/4885ALDH1A1 1990/4885
US-20190117523-A1 DENTAL COMPOSITION PPIP5K2, INPP5D, DCPS ZDHHC20 1646/4885ZDHHC2 2407/4885ALDH1A1 1990/4885

“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.