SCHEMBL21291298

SCHEMBL21291298

CCOC(=O)[C@H](C)NP(=O)(COc1cc(C)c(Oc2ccc(O)c(C(C)CC)c2)c(C)c1)N[C@@H](C)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 12/20 0.58
▸ THRB P10828 12/20 0.58

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
SCHEMBL13044671 0.84 THRB (0.70) THRATHRB
SCHEMBL13381819 0.84 THRB (0.67) THRATHRB
SCHEMBL13381848 0.84 THRA (0.67) THRATHRB
SCHEMBL13703150 0.83 THRA (0.53) THRATHRB
SCHEMBL18774704 0.79 THRB (0.64) THRATHRB
SCHEMBL13381988 0.77 THRB (0.68) THRATHRB
SCHEMBL13867746 0.77 THRB (0.68) THRATHRB
SCHEMBL21291353 0.77 THRA (0.55) THRATHRB
SCHEMBL13703149 0.75 THRB (0.64) THRATHRB
SCHEMBL13381796 0.75 THRB (0.64) THRATHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190255080-A1 METHOD OF REDUCING THYROID-ASSOCIATED SIDE EFFECTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-08-22 — — 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-20190255080-A1 METHOD OF REDUCING THYROID-ASSOCIATED SIDE EFFECTS TSHR, TPO, THRA THRA 3/4885THRB 4/4885

“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.

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