SCHEMBL5408218

SCHEMBL5408218

COc1cccc(CCc2cc(Oc3c(C)cc(N)c4c3CCC4)ccc2OC)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.45
THRA P10827 4/20 0.43
ABCB1 P08183 10/20 0.43
TAAR1 Q96RJ0 2/20 0.41
ADRA1A P35348 1/20 0.41
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
DHFR P00374 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39

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
SCHEMBL5391455 0.90 THRB (0.45) THRBTHRATAAR1ADRA1A
SCHEMBL5397594 0.86 THRB (0.45) THRBTHRATAAR1ADRA1AHTR1A
SCHEMBL5392729 0.86 THRB (0.48) THRBTHRATAAR1ADRA1A
SCHEMBL5416083 0.79 THRB (0.55) THRBTHRA
SCHEMBL5404191 0.78 THRB (0.60) THRBTHRA
SCHEMBL5395987 0.77 THRB (0.68) THRBTHRA
SCHEMBL5396872 0.75 THRB (0.51) THRBTHRA
SCHEMBL5396675 0.75 ACHE (0.44) THRB
SCHEMBL6625734 0.73 THRB (0.42) THRBTHRA
SCHEMBL5393070 0.72 THRB (0.40) THRBTHRAABCB1

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 2/4885ABCB1 3542/4885

“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.