SCHEMBL5396296

SCHEMBL5396296

CCOC(=O)c1c(Oc2c(C)cc(N)c3c2CCC3)ccc(O)c1C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.42
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
THRB P10828 3/20 0.42
THRA P10827 2/20 0.41
MAPT P10636 7/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL5396291 0.85 ALDH1A1 (0.43) GAAALDH1A1MEN1KMT2ATHRB
SCHEMBL5408371 0.83 THRB (0.44) THRBTHRAMAPK1CYP3A4SMN1; SMN2
SCHEMBL5407689 0.74 THRB (0.39) THRBTHRA
SCHEMBL5393171 0.71 THRB (0.46) THRBTHRA
SCHEMBL5400955 0.70 CA9 (0.41) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL5401777 0.68 THRB (0.38) GAATHRBTHRAPOLB
SCHEMBL5402484 0.67 THRA (0.42) GAAALDH1A1MEN1KMT2ATHRB
SCHEMBL5391972 0.66 THRB (0.40) THRBTHRA
SCHEMBL8442287 0.66 CA12 (0.65) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL11221186 0.65 ALDH1A1 (0.49) GAAALDH1A1MEN1KMT2AMAPT

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 GAA 4542/4885ALDH1A1 3008/4885MEN1 1705/4885

“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.