SCHEMBL5406091

SCHEMBL5406091

Cc1cc(N)c2c(c1Oc1ccc(OCc3ccccc3)c(Cc3ccc(F)cc3)c1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.49
THRA P10827 6/20 0.49
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
RXRG P48443 2/20 0.37
HPD P32754 1/20 0.37
ABCB1 P08183 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
PPARD Q03181 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL5402477 0.89 THRB (0.49) THRBTHRAALDH1A1PKMRXRG
SCHEMBL5393114 0.89 THRB (0.55) THRBTHRAALDH1A1PKMRXRG
SCHEMBL5392015 0.87 THRB (0.47) THRBTHRAALDH1A1PKMRXRG
SCHEMBL5407697 0.87 THRB (0.49) THRBTHRAALDH1A1PKMRXRG
SCHEMBL5398469 0.86 THRB (0.53) THRBTHRARXRGHPDRXRA
SCHEMBL5396331 0.86 THRB (0.48) THRBTHRAALDH1A1PKMRXRG
SCHEMBL5397723 0.86 THRB (0.48) THRBTHRAALDH1A1PKMRXRG
SCHEMBL6625734 0.85 THRB (0.42) THRBTHRARXRGRXRARXRB
SCHEMBL5404412 0.85 THRA (0.53) THRBTHRARXRGPPARD
SCHEMBL5394316 0.82 THRB (0.53) THRBTHRARXRGPPARD

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 2/4885ALDH1A1 3008/4885

“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.