SCHEMBL282238

SCHEMBL282238

Cc1cc(O[Si](C(C)C)(C(C)C)C(C)C)c(C)cc1C=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNJ1 P48048 1/20 0.31
ERN1 O75460 1/20 0.31
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
PRKDC P78527 1/20 0.30

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
SCHEMBL5379601 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GRIA1GRIA2GRIA3
SCHEMBL5702044 0.74
SCHEMBL282147 0.74 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GRIA1GRIA2GRIA3
SCHEMBL5073464 0.72 ALDH1A1 (0.33) ALDH1A1TSHRKDM4EKCNJ1
SCHEMBL1620179 0.72 ERN1 (0.41) ALDH1A1SMN1; SMN2TSHRKDM4ETDP1
SCHEMBL2884919 0.72 GRIA1 (0.56) ALDH1A1SMN1; SMN2GRIA1GRIA2GRIA3
SCHEMBL31282555 0.71 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRKDM4ETDP1
SCHEMBL4599831 0.71 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRKDM4ETDP1
SCHEMBL6822754 0.71 TLR2 (0.45) ALDH1A1SMN1; SMN2TSHRKDM4ETDP1
SCHEMBL22974979 0.71 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ETDP1ERN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689383-B1 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2012-10-31 EP disclosed
EP-2428516-A1 Novel phosphorus-containing thyromimetics Metabasis Therapeutics, Inc. (US) 2012-03-14 EP disclosed
US-7829552-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-20100081634-A1 Novel Phosphorus-Containing Thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-04-01 US disclosed
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2009-05-07 US disclosed
US-7514419-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2009-04-07 US disclosed
EP-1689383-A4 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2009-02-18 EP disclosed
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 US disclosed
EP-1891080-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
WO-2006128055-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
EP-1689383-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2006-08-16 EP disclosed
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 US disclosed
WO-2005051298-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2005-06-09 WO 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 (4 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-20100081634-A1 Novel Phosphorus-Containing Thyromimetics PYGL, THRA, THOP1 ALDH1A1 4227/4885SMN1; SMN2 4881/4885GRIA1 1794/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 ALDH1A1 4227/4885SMN1; SMN2 4881/4885GRIA1 1794/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB ALDH1A1 4038/4885SMN1; SMN2 4885/4885GRIA1 1271/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE ALDH1A1 4147/4885SMN1; SMN2 4845/4885GRIA1 1052/4885

“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.