SCHEMBL5404412

SCHEMBL5404412

Cc1cc(OCC(=O)O)c2c(c1Oc1ccc(OCc3ccccc3)c(Cc3ccc(F)cc3)c1)CCC2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.53
THRB P10828 5/20 0.53
PPARD Q03181 9/20 0.50
PPARG P37231 3/20 0.47
PPARA Q07869 4/20 0.44
RXRG P48443 1/20 0.44
ELANE P08246 4/20 0.43
F2 P00734 2/20 0.43
FFAR1 O14842 2/20 0.43

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
SCHEMBL5398469 0.88 THRB (0.53) THRATHRBRXRG
SCHEMBL5397723 0.87 THRB (0.48) THRATHRBPPARDRXRG
SCHEMBL5393114 0.87 THRB (0.55) THRATHRBRXRG
SCHEMBL5391931 0.87 THRB (0.69) THRATHRBPPARD
SCHEMBL5394316 0.86 THRB (0.53) THRATHRBPPARDPPARGRXRG
SCHEMBL5407697 0.85 THRB (0.49) THRATHRBPPARDPPARGRXRG
SCHEMBL5402477 0.85 THRB (0.49) THRATHRBPPARDRXRG
SCHEMBL5406091 0.85 THRB (0.49) THRATHRBPPARDRXRG
SCHEMBL5396331 0.84 THRB (0.48) THRATHRBRXRG
SCHEMBL5392015 0.83 THRB (0.47) THRATHRBRXRG

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 THRA 2/4885THRB 3/4885PPARD 567/4885

“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.