SCHEMBL5041618

SCHEMBL5041618

CCc1cc(Oc2c(Br)cc([N+](=O)[O-])c(C)c2Br)cc(C(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRA P10827 15/20 0.45
THRB P10828 15/20 0.45
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5042748 0.93 THRA (0.44) THRATHRBCYP1A2
SCHEMBL5045360 0.87 THRA (0.49) THRATHRBCYP1A2
SCHEMBL5037665 0.84 THRA (0.44) THRATHRBCYP1A2
SCHEMBL5045364 0.82 THRA (0.48) THRATHRB
SCHEMBL5042751 0.81 THRA (0.56) THRATHRB
SCHEMBL14264303 0.78 THRA (0.39) THRATHRBCYP1A2
SCHEMBL5560966 0.77 THRA (0.48) THRATHRB
SCHEMBL5041163 0.76 THRB (0.52) THRATHRBCYP1A2
SCHEMBL5045261 0.76 THRA (0.52) THRATHRB
SCHEMBL5040953 0.75 THRA (0.44) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342127-B2 Substituted anilide ligands for the thyroid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
US-7342127-B2 Substituted anilide ligands for the thyroid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
US-7342127-B2 Substituted anilide ligands for the thyroid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
EP-1601641-A4 SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2007-03-21 EP disclosed
EP-1601641-A2 SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR Bristol-Myers Squibb Company (US) 2005-12-07 EP disclosed
US-20040180940-A1 Substituted anilide ligands for the thyroid receptor KARO BIO AB (SE) 2004-09-16 US disclosed
WO-2004067482-A2 SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-12 WO 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-20040180940-A1 Substituted anilide ligands for the thyroid receptor TSHR, TRHR, THRA THRA 3/4885THRB 4/4885CYP1A2 1743/4885

“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.