SCHEMBL5351673

SCHEMBL5351673

COc1c(C(C)C)cc(Oc2c(Br)cc(CC(C)C(=O)O)cc2Br)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRA P10827 16/20 0.43
THRB P10828 16/20 0.43
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5354531 0.86 CYP3A4 (0.40) THRATHRBCYP3A4CYP2C19
SCHEMBL5282266 0.84 THRA (0.47) THRATHRBCYP3A4CYP2C19
SCHEMBL5964570 0.84 THRA (0.46) THRATHRBCYP3A4CYP2C19
SCHEMBL5367322 0.84 THRA (0.62) THRATHRBCYP3A4CYP2C19
SCHEMBL5367327 0.84 THRA (0.62) THRATHRBCYP3A4CYP2C19
SCHEMBL5355142 0.83 THRB (0.54) THRATHRBCYP3A4
SCHEMBL5351674 0.83 THRA (0.48) THRATHRBCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL5353832 0.82 THRA (0.46) THRATHRB
SCHEMBL12312830 0.82 THRA (0.50) THRATHRBCYP3A4CYP2C19
SCHEMBL5351679 0.82 THRA (0.43) THRATHRBCYP3A4CYP2C19

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-7279593-B2 Prime ring substituted thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2007-10-09 US disclosed
US-20050107347-A1 Prime ring substituted thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2005-05-19 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-20050107347-A1 Prime ring substituted thyroid receptor antagonists for the treatment of cardiac and metabolic disorders TSHR, THRB, THRA THRA 3/4885THRB 2/4885CYP3A4 324/4885

“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.