SCHEMBL5404872

SCHEMBL5404872

CC(=O)c1cc(Oc2c(C)cc([N+](=O)[O-])c3c2CCC3)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 19/20 0.46
THRA P10827 15/20 0.44
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5396370 0.87 ALDH1A1 (0.42) THRBALDH1A1LMNAHPGDKMT2A
SCHEMBL5397899 0.84 THRB (0.49) THRBTHRA
SCHEMBL5394261 0.83 THRB (0.46) THRBTHRAALDH1A1LMNAHPGD
SCHEMBL5401337 0.82 ERN1 (0.44) THRBTHRA
SCHEMBL5391479 0.82 THRB (0.54) THRBTHRAALDH1A1LMNAHPGD
SCHEMBL5401868 0.80 KDM4E (0.43) THRBTHRAALDH1A1LMNAHPGD
SCHEMBL5399711 0.80 MAPT (0.44) THRBTHRAKMT2ASMN1; SMN2
SCHEMBL5401756 0.78 HTR7 (0.45) THRBALDH1A1LMNAHPGDKMT2A
SCHEMBL5402484 0.77 THRA (0.42) THRBTHRAALDH1A1LMNAHPGD
SCHEMBL5399302 0.77 THRB (0.66) 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 2/4885ALDH1A1 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.