SCHEMBL5402575

SCHEMBL5402575

CCc1c(O)ccc(Oc2c(C)cc(N)c3c2CCC3)c1OCCC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
HPGD P15428 6/20 0.35
NFE2L2 Q16236 1/20 0.35
PPARG P37231 3/20 0.35
CXCR2 P25025 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
C5AR1 P21730 2/20 0.33
MCHR1 Q99705 1/20 0.32
IDO1 P14902 1/20 0.31
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5401196 0.82 THRB (0.64) THRATHRB
SCHEMBL5391972 0.82 THRB (0.40) THRATHRB
SCHEMBL5404248 0.81 THRB (0.49) THRATHRB
SCHEMBL5391465 0.81 THRB (0.54) THRATHRB
SCHEMBL5407689 0.79 THRB (0.39) THRATHRB
SCHEMBL5396395 0.68 THRB (0.36) THRATHRB
SCHEMBL5396389 0.67 THRB (0.34) THRATHRB
SCHEMBL5401777 0.67 THRB (0.38) THRATHRBGAA
SCHEMBL5408371 0.66 THRB (0.44) THRATHRB
SCHEMBL5397547 0.66 THRB (0.64) THRATHRB

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 3/4885HPGD 4327/4885

“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.