SCHEMBL21291185

SCHEMBL21291185

CCC(C)c1cc(Nc2c(C)cc(OCP(=O)(O)O)cc2C)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 18/20 0.65
THRB P10828 18/20 0.65
RORC P51449 1/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL13044639 0.91 THRA (0.65) THRATHRB
SCHEMBL13381638 0.80 THRA (0.50) THRATHRBGAA
SCHEMBL282073 0.79 THRB (1.00) THRATHRB
SCHEMBL4347907 0.73 THRA (0.71) THRATHRB
SCHEMBL13867768 0.70 THRA (0.58) THRATHRB
SCHEMBL283081 0.70 THRA (1.00) THRATHRB
SCHEMBL13044659 0.70 THRB (0.83) THRATHRB
SCHEMBL282132 0.69 THRB (0.66) THRATHRB
Mb07344 SCHEMBL29378732 0.69 THRB (1.00) THRATHRB
Mb07344 SCHEMBL282003 0.69 THRB (1.00) 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 4/4885RORC 1544/4885

“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.