SCHEMBL5041163

SCHEMBL5041163

COc1ccc(Oc2c(Br)cc([N+](=O)[O-])c(C)c2Br)cc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.52
THRA P10827 8/20 0.52
RORC P51449 5/20 0.43
CYP1A2 P05177 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
SCHEMBL5042751 0.85 THRA (0.56) THRBTHRA
SCHEMBL5047511 0.85 THRB (0.48) THRBTHRARORC
SCHEMBL7073367 0.83 THRB (0.56) THRBTHRARORC
SCHEMBL2047460 0.82 THRB (0.51) THRBTHRARORC
SCHEMBL11039034 0.78 RORC (0.47) THRBTHRARORC
SCHEMBL5283822 0.78 THRB (0.57) THRBTHRARORC
SCHEMBL5045360 0.78 THRA (0.49) THRBTHRACYP1A2
SCHEMBL4965062 0.76 THRB (0.48) THRBTHRARORC
SCHEMBL5041618 0.76 THRA (0.45) THRBTHRACYP1A2
SCHEMBL14264303 0.75 THRA (0.39) THRBTHRACYP1A2

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 THRB 4/4885THRA 3/4885RORC 244/4885

“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.