SCHEMBL5401799

SCHEMBL5401799

Cc1cc(OC=O)c2c(c1Oc1ccc(OCc3ccccc3)c(C(C)C)c1)CCC2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 13/20 0.43
THRA P10827 11/20 0.43
RORC P51449 1/20 0.37
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
RXRG P48443 3/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL5396862 0.88 THRB (0.44) THRBTHRARORC
SCHEMBL5401632 0.86 THRB (0.50) THRBTHRARXRARXRBRXRG
SCHEMBL6623182 0.86 THRB (0.47) THRBTHRARORCRXRARXRB
SCHEMBL6623179 0.84 THRB (0.45) THRBTHRARORCRXRARXRB
SCHEMBL5397627 0.84 THRB (0.43) THRBTHRARORC
SCHEMBL5404292 0.84 THRB (0.43) THRBTHRARORC
SCHEMBL5401387 0.84 THRB (0.50) THRBTHRA
SCHEMBL6624072 0.84 THRB (0.44) THRBTHRARORC
SCHEMBL5399732 0.84 THRB (0.54) THRBTHRARORCRXRARXRB
SCHEMBL5398175 0.83 THRB (0.43) THRBTHRARORC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230031-B2 Thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-06-12 US disclosed
US-20050085541-A1 Novel thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 US disclosed
EP-1471049-A1 NOVEL THYROID HORMONE RECEPTOR LIGAND, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-10-27 EP 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-20050085541-A1 Novel thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof TSHR, THRA, THRB THRB 3/4885THRA 2/4885RORC 643/4885

“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.