SCHEMBL16623951

SCHEMBL16623951

C=C(C)C(=O)OCC(O)CNC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL13715093 0.80 TSHR (0.41) TSHRALDH1A1KMT2AMEN1HTT
SCHEMBL24755313 0.78 KDM4E (0.53) TSHRALDH1A1KMT2APOLBMEN1
SCHEMBL16623949 0.78 TSHR (0.39) TSHRALDH1A1
SCHEMBL24556887 0.76 TSHR (0.42) TSHRALDH1A1KMT2APOLBMEN1
SCHEMBL4387071 0.76 MEN1 (0.33) KMT2AMEN1HTTKDM4EGAA
SCHEMBL24556883 0.74 TSHR (0.41) TSHRALDH1A1KMT2APOLBMEN1
SCHEMBL24556897 0.72 ADRB2 (0.40) TSHRALDH1A1KMT2APOLBMEN1
SCHEMBL24556896 0.71 MEN1 (0.40) TSHRALDH1A1KMT2APOLBMEN1
SCHEMBL8384361 0.70 TSHR (0.41) TSHRALDH1A1
SCHEMBL16623953 0.70 KDM4E (0.41) TSHRALDH1A1KMT2AMEN1KDM4E

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
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
WO-2015051217-A1 DENTAL COMPOSITE COMPOSITIONS FOR REDUCED STRESS SHRINKAGE DENTSPLY INTERNATIONAL INC. (US) 2015-04-09 WO 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 TSHR 3714/4885ALDH1A1 2471/4885KMT2A 3260/4885
US-10780026-B2 Methods of forming dental composites and compositions for reduced shrinkage stress SMCHD1, FHIT, ACR TSHR 2671/4885ALDH1A1 1551/4885KMT2A 2852/4885
US-20190224081-A1 METHODS OF FORMING DENTAL COMPOSITES AND COMPOSITIONS FOR REDUCED SHRINKAGE STRESS SMCHD1, FHIT, ACR TSHR 2671/4885ALDH1A1 1551/4885KMT2A 2852/4885

“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.