SCHEMBL19322766

SCHEMBL19322766

C=C(COCC(=N)C(=O)OC)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL353002 0.87 ALDH1A1 (0.48) ALDH1A1
SCHEMBL353003 0.79 ALDH1A1 (0.41) ALDH1A1
SCHEMBL19322774 0.77 ALDH1A1 (0.40) ALDH1A1
SCHEMBL351841 0.77 ALDH1A1 (0.42) ALDH1A1
SCHEMBL9350161 0.76 ALDH1A1 (0.42) ALDH1A1
SCHEMBL824134 0.75 ALDH1A1 (0.41) ALDH1A1
SCHEMBL13176520 0.74 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3689082 0.73 ALDH1A1 (0.39) ALDH1A1
SCHEMBL352782 0.73
SCHEMBL350033 0.72 ALDH1A1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9999576-B2 Dental composition DENTSPLY DETREY GMBH (DE) 2018-06-19 US disclosed
US-20170252271-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2017-09-07 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-20170252271-A1 DENTAL COMPOSITION COG1, PICALM, TUBGCP3 ALDH1A1 3229/4885

“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.