SCHEMBL19620229

SCHEMBL19620229

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.33
LMNA P02545 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CCR6 P51684 1/20 0.30
CYP1A2 P05177 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
SCHEMBL15617163 0.94 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBLMNAMAPT
SCHEMBL18106220 0.94 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBLMNAMAPT
SCHEMBL49389 0.87 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBLMNAMAPT
SCHEMBL20274381 0.86 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ZDHHC20ZDHHC2
SCHEMBL18458050 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAMAPTZDHHC20
SCHEMBL19493415 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ZDHHC20ZDHHC2
SCHEMBL20274451 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL9861082 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ZDHHC20ZDHHC2
SCHEMBL21652434 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBKDM4EMAPT
SCHEMBL18435904 0.81 ALDH1A1 (0.37) ALDH1A1

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
EP-3359119-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2021-12-29 EP disclosed
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
EP-3246001-A1 DENTAL COMPOSITION DENTSPLY DETREY GmbH (DE) 2017-11-22 EP 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 ALDH1A1 1990/4885SMN1; SMN2 4499/4885POLB 583/4885
US-20190117523-A1 DENTAL COMPOSITION PPIP5K2, INPP5D, DCPS ALDH1A1 1990/4885SMN1; SMN2 4499/4885POLB 583/4885

“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.