SCHEMBL20274451

SCHEMBL20274451

C=CCN(C/C=C/CCO)C(=O)C=C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL18106220 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL15617163 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL20274391 0.86 ALDH1A1 (0.38) ALDH1A1
SCHEMBL20274381 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL19620229 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL49389 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2
SCHEMBL9861082 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL19636116 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL18458050 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL19493415 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11116702-B2 Dental composition DENTSPLY SIRONA INC. (US) 2021-09-14 US disclosed
US-10980713-B2 Dental composition DENTSPLY SIRONA INC. (US) 2021-04-20 US disclosed
US-20200022884-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2020-01-23 US disclosed
US-20190274930-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2019-09-12 US disclosed
WO-2019173656-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2019-09-12 WO disclosed
WO-2018108948-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2018-06-21 WO disclosed
EP-3335689-A1 DENTAL COMPOSITION DENTSPLY DETREY GmbH (DE) 2018-06-20 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 (4 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-20190274930-A1 DENTAL COMPOSITION KATNAL2, PUF60, PGLS ALDH1A1 2727/4885CA1 614/4885CA9 2033/4885
US-11116702-B2 Dental composition MTR, CAD, PAM ALDH1A1 1171/4885CA1 359/4885CA9 1346/4885
US-20200022884-A1 DENTAL COMPOSITION MTR, CAD, PAM ALDH1A1 1171/4885CA1 359/4885CA9 1346/4885
US-10980713-B2 Dental composition KATNAL2, PUF60, PGLS ALDH1A1 2727/4885CA1 614/4885CA9 2033/4885

“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.