SCHEMBL5116440

SCHEMBL5116440

CCC(=O)Nc1cc(C)cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.62
THRA P10827 15/20 0.62
ESR1 P03372 1/20 0.52
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
NR3C2 P08235 1/20 0.52
AR P10275 1/20 0.52
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 2/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5120011 0.89 THRA (0.47) THRBTHRAESR1NR3C1PGR
SCHEMBL5116739 0.89 THRB (0.60) THRBTHRAESR1NR3C1PGR
SCHEMBL5106690 0.89 THRA (0.65) THRBTHRAESR1NR3C1PGR
SCHEMBL5110308 0.89 THRB (0.54) THRBTHRAALDH1A1
SCHEMBL5117351 0.88 THRB (0.58) THRBTHRAESR1NR3C1PGR
SCHEMBL5118576 0.87 ALDH1A1 (0.46) THRBTHRAKMT2AALDH1A1
SCHEMBL4532725 0.86 THRB (0.74) THRBTHRAESR1NR3C1PGR
SCHEMBL4348417 0.86 THRB (0.67) THRBTHRAESR1NR3C1PGR
SCHEMBL4348412 0.86 THRA (0.77) THRBTHRAESR1NR3C1PGR
SCHEMBL5108065 0.86 THRA (0.61) THRBTHRAESR1NR3C1PGR

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-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor KARO BIO AB (SE) 2008-01-03 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-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor TSHR, TRHR, THRA THRB 4/4885THRA 3/4885ESR1 299/4885

“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.