SCHEMBL5404873

SCHEMBL5404873

CC(C)c1cc(Oc2c(C(F)(F)F)cc([N+](=O)[O-])c3c2CCC3)ccc1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SGMS2 Q8NHU3 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
THRB P10828 5/20 0.35
THRA P10827 4/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
HPD P32754 1/20 0.35

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
SCHEMBL5398175 0.90 THRB (0.43) POLBSGMS2MAPTMEN1KMT2A
SCHEMBL5391540 0.88 POLB (0.39) POLBSGMS2MAPTMEN1KMT2A
SCHEMBL5401768 0.88 THRB (0.44) POLBSGMS2MAPTMEN1KMT2A
SCHEMBL5402774 0.86 AR (0.37) THRBTHRARORCAR
SCHEMBL5407893 0.79 THRB (0.47) ALDH1A1THRBTHRARORC
SCHEMBL5399271 0.77 POLB (0.42) POLBMAPTMEN1KMT2ATHRB
SCHEMBL8799741 0.77 MEN1 (0.47) MAPTMEN1KMT2ATHRBTHRA
SCHEMBL6623929 0.77 MAPT (0.37) POLBSGMS2MAPTMEN1KMT2A
SCHEMBL5398333 0.76 THRB (0.43) POLBMAPTMEN1KMT2ATHRB
SCHEMBL5396348 0.76 POLB (0.41) POLBALDH1A1MAPTMEN1KMT2A

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 POLB 4681/4885SGMS2 3151/4885KDM4E 4606/4885

“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.