SCHEMBL16449489

SCHEMBL16449489

C=CC(=O)N(C)C(C)(C)CC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31

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
SCHEMBL8514391 0.84 HMGCR (0.38) ALDH1A1THRATHRB
SCHEMBL21239140 0.81 THRA (0.32) ALDH1A1THRATHRB
SCHEMBL2200509 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7138072 0.73 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2557835 0.73
SCHEMBL4951501 0.73
Phosphonic Acid SCHEMBL2560744 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2561196 0.73
SCHEMBL20210993 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4812023 0.72 ALDH1A1 (0.35) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2835128-B1 ONE-PACK DENTAL ADHESIVE KURARAY NORITAKE DENTAL INC (JP) 2020-01-08 EP disclosed
US-9700491-B2 One-part dental adhesive KURARAY NORITAKE DENTAL INC. (JP) 2017-07-11 US disclosed
US-9700491-B2 One-part dental adhesive KURARAY NORITAKE DENTAL INC. (JP) 2017-07-11 US disclosed
US-20150094392-A1 ONE-PART DENTAL ADHESIVE KURARAY NORITAKE DENTAL INC. (JP) 2015-04-02 US disclosed
US-20150094392-A1 ONE-PART DENTAL ADHESIVE KURARAY NORITAKE DENTAL INC. (JP) 2015-04-02 US disclosed
EP-2835128-A1 ONE-PACK DENTAL ADHESIVE Kuraray Noritake Dental Inc. (JP) 2015-02-11 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 (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-20150094392-A1 ONE-PART DENTAL ADHESIVE ARID2, ICAM1, CAD ALDH1A1 56/4885THRA 634/4885THRB 1093/4885

“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.