SCHEMBL16626786

SCHEMBL16626786

C=C(C)C(=O)OCCO[PH](=O)C1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL16623995 0.73 THRB (0.38) THRBTSHRCA1CA2ALDH1A1
SCHEMBL9008779 0.70 THRB (0.42) THRBTSHRCA1CA2ALDH1A1
SCHEMBL1337099 0.69 THRB (0.57) THRBTSHRCA1CA2ALDH1A1
SCHEMBL844386 0.68 THRB (0.55) THRBTSHRCA1CA2ALDH1A1
SCHEMBL2721270 0.68 THRB (0.55) THRBTSHRCA1CA2ALDH1A1
SCHEMBL13567318 0.68 THRB (0.40) THRBTSHRCA1CA2ALDH1A1
SCHEMBL7510697 0.67 GAA (0.44) TSHRALDH1A1
SCHEMBL6142874 0.67 THRB (0.74) THRBTSHRCA1CA2ALDH1A1
SCHEMBL15636 0.67 THRB (0.74) THRBTSHRCA1CA2ALDH1A1
SCHEMBL20956850 0.67 THRB (0.53) THRBTSHRCA1CA2ALDH1A1

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-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 (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-20150099821-A1 DENTAL COMPOSITE COMPOSITIONS FOR REDUCED STRESS SHRINKAGE VCL, HSPA4L, GPX4 THRB 2570/4885TSHR 3714/4885CA1 3578/4885

“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.