SCHEMBL5401353

SCHEMBL5401353

COc1c(Oc2c(C)cc(C(=O)NCC(=O)O)c3c2CCC3)ccc(OCc2ccccc2)c1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.54
THRA P10827 4/20 0.54
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
TAOK1 Q7L7X3 1/20 0.37
TAOK3 Q9H2K8 1/20 0.37
ACACB O00763 1/20 0.37
SMPD1 P17405 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL5394108 0.89 RXRA (0.42) THRBTHRARXRARXRBRXRG
SCHEMBL5394386 0.86 THRB (0.67) THRBTHRA
SCHEMBL5407862 0.84 THRB (0.72) THRBTHRA
SCHEMBL5397938 0.80 NPC1 (0.35) RXRARXRBRXRGACACBALDH1A1
SCHEMBL5397557 0.80 SLC2A1 (0.36) RXRARXRBRXRGACACBALDH1A1
SCHEMBL5396368 0.79 CTSV (0.41) LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5397736 0.79 MAOB (0.37) LMNAALDH1A1
SCHEMBL5394316 0.76 THRB (0.53) THRBTHRARXRGLMNA
SCHEMBL5399732 0.72 THRB (0.54) THRBTHRARXRARXRBRXRG
SCHEMBL5408047 0.70 THRA (1.00) THRBTHRA

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 2/4885RXRA 57/4885

“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.