SCHEMBL5396291

SCHEMBL5396291

CCOC(=O)c1c(Oc2c(C)cc([N+](=O)[O-])c3c2CCC3)ccc(O)c1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 6/20 0.43
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
GAA P10253 4/20 0.40
THRB P10828 3/20 0.40
THRA P10827 2/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 2/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
CA12 O43570 1/20 0.37

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
SCHEMBL5396296 0.85 GAA (0.42) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL5393028 0.85 CYP19A1 (0.39) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL5402484 0.84 THRA (0.42) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL5397915 0.77 KMT2A (0.41) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL5401717 0.75 CYP19A1 (0.45) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL5404872 0.74 THRB (0.46) ALDH1A1KMT2ATHRBTHRALMNA
SCHEMBL5396358 0.73 ALDH3A1 (0.38) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL5401791 0.73 CYP19A1 (0.42) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL5393844 0.72 CTSV (0.44) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL5396370 0.70 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AMEN1GAA

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 ALDH1A1 3008/4885MAPT 4806/4885KMT2A 4248/4885

“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.