SCHEMBL18458050

SCHEMBL18458050

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
ZDHHC20 Q5W0Z9 2/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
SLC6A4 P31645 4/20 0.35
SLC6A2 P23975 4/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
PSMB5 P28074 2/20 0.32
DPP4 P27487 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 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
SCHEMBL19636115 0.92 ZDHHC20 (0.40) ALDH1A1ZDHHC20ZDHHC2TSHRPSMB5
SCHEMBL8040319 0.92 ALDH1A1 (0.45) ALDH1A1ZDHHC20ZDHHC2SLC6A4SLC6A2
SCHEMBL15617163 0.90 ALDH1A1 (0.46) ALDH1A1ZDHHC20ZDHHC2MAPTDPP4
SCHEMBL18106220 0.90 ALDH1A1 (0.46) ALDH1A1ZDHHC20ZDHHC2MAPTDPP4
SCHEMBL21652434 0.85 ALDH1A1 (0.46) ALDH1A1ZDHHC20ZDHHC2MAPTTSHR
SCHEMBL18734536 0.85 ZDHHC20 (0.41) ALDH1A1ZDHHC20ZDHHC2MAPTTSHR
SCHEMBL19493415 0.85 ALDH1A1 (0.44) ALDH1A1ZDHHC20ZDHHC2DPP4SMN1; SMN2
SCHEMBL19620229 0.84 ALDH1A1 (0.42) ALDH1A1ZDHHC20ZDHHC2MAPTSMN1; SMN2
SCHEMBL49389 0.83 ALDH1A1 (0.52) ALDH1A1ZDHHC20ZDHHC2MAPTTSHR
SCHEMBL20274381 0.82 ALDH1A1 (0.41) ALDH1A1ZDHHC20ZDHHC2TSHRSMN1; SMN2

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-11141357-B2 Dental adhesive DENTSPLY SIRONA INC. (US) 2021-10-12 US disclosed
US-20210137795-A1 DENTAL ADHESIVE DENTSPLY SIRONA INC. (US) 2021-05-13 US disclosed
WO-2017017155-A1 DENTAL ADHESIVE DENTSPLY DETREY GMBH (DE) 2017-02-02 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-11141357-B2 Dental adhesive CDH1, ITGA5, ICAM1 ALDH1A1 404/4885ZDHHC20 2687/4885ZDHHC2 3453/4885
US-20210137795-A1 DENTAL ADHESIVE CDH1, ITGA5, ICAM1 ALDH1A1 404/4885ZDHHC20 2687/4885ZDHHC2 3453/4885

“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.