SCHEMBL16626770

SCHEMBL16626770

C=C(C)C(=O)N(C(=O)C(=C)C)C1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
GAA P10253 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.30
HTT P42858 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
SCHEMBL16626765 0.84 ALDH1A1 (0.49) ALDH1A1ALOX15GAAL3MBTL1KDM4E
SCHEMBL16626762 0.75 ALDH1A1 (0.40) ALDH1A1ALOX15GAAL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL5429867 0.70 GAA (0.36) ALDH1A1ALOX15GAAL3MBTL1KDM4E
SCHEMBL8850098 0.70 ALDH1A1 (0.36) ALDH1A1ALOX15
SCHEMBL21163316 0.69 GAA (0.46) ALDH1A1ALOX15GAAL3MBTL1KDM4E
SCHEMBL18133152 0.69 ALDH1A1 (0.35) ALDH1A1ALOX15
SCHEMBL16623949 0.69 TSHR (0.39) ALDH1A1ALOX15
SCHEMBL7510697 0.68 GAA (0.44) ALDH1A1ALOX15GAAL3MBTL1KDM4E
SCHEMBL7508932 0.68 GAA (0.47) ALDH1A1ALOX15GAAL3MBTL1KDM4E
SCHEMBL16623963 0.68 GAA (0.34) ALDH1A1ALOX15GAAL3MBTL1KDM4E

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
US-10780026-B2 Methods of forming dental composites and compositions for reduced shrinkage stress DENTSPLY SIRONA INC. (US) 2020-09-22 US disclosed
EP-3052481-B1 USE OF POLYMERIZABLE STABLE RADICALS FOR REDUCING THE SHRINKAGE STRESS OF DENTAL COMPOSITIONS DENTSPLY SIRONA INC (US) 2020-04-08 EP disclosed
US-20190224081-A1 METHODS OF FORMING DENTAL COMPOSITES AND COMPOSITIONS FOR REDUCED SHRINKAGE STRESS DENTSPLY SIRONA INC (US) 2019-07-25 US disclosed
US-9931280-B2 Dental composite compositions for reduced shrinkage stress DENTSPLY SIRONA INC. (US) 2018-04-03 US disclosed
US-20150099821-A1 DENTAL COMPOSITE COMPOSITIONS FOR REDUCED STRESS SHRINKAGE DENTSPLY SIRONA INC. 2015-04-09 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 (3 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-20150099821-A1 DENTAL COMPOSITE COMPOSITIONS FOR REDUCED STRESS SHRINKAGE VCL, HSPA4L, GPX4 ALDH1A1 2471/4885ALOX15 598/4885GAA 3472/4885
US-10780026-B2 Methods of forming dental composites and compositions for reduced shrinkage stress SMCHD1, FHIT, ACR ALDH1A1 1551/4885ALOX15 387/4885GAA 2587/4885
US-20190224081-A1 METHODS OF FORMING DENTAL COMPOSITES AND COMPOSITIONS FOR REDUCED SHRINKAGE STRESS SMCHD1, FHIT, ACR ALDH1A1 1551/4885ALOX15 387/4885GAA 2587/4885

“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.