SCHEMBL4931340

SCHEMBL4931340

CNc1cc(C#N)cc(COc2c(Br)cc(CC(=O)O)cc2Br)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 19/20 0.51
THRA P10827 18/20 0.48
PPARG P37231 1/20 0.39
ESR1 P03372 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL4929557 0.89 THRB (0.56) THRBTHRAESR1NR3C1PGR
SCHEMBL5110496 0.89 THRB (0.49) THRBTHRAPPARGESR1NR3C1
SCHEMBL4923128 0.89 THRB (0.53) THRBTHRAPPARGESR1NR3C1
SCHEMBL4933997 0.88 MRGPRX4 (0.42) THRBTHRAMRGPRX4
SCHEMBL4932606 0.88 THRB (0.49) THRBTHRAPPARGESR1NR3C1
SCHEMBL4930926 0.87 THRB (0.50) THRBTHRAPPARGESR1NR3C1
SCHEMBL5119915 0.87 THRB (0.50) THRBTHRAPPARG
SCHEMBL5110385 0.86 THRB (0.47) THRBTHRA
SCHEMBL4934946 0.84 SMN1; SMN2 (0.41) THRBTHRAMRGPRX4
SCHEMBL4933926 0.83 THRB (0.56) THRBTHRAPPARGESR1NR3C1

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-20080221210-A1 Thyroid Receptor Agonists KARO BIO AB (SE) 2008-09-11 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-20080221210-A1 Thyroid Receptor Agonists TSHR, TRHR, THRA THRB 4/4885THRA 3/4885PPARG 213/4885

“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.