SCHEMBL282712

SCHEMBL282712

Cc1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(C)c1N

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 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
SCHEMBL18428478 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL282196 0.79 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL17557208 0.79 MAPT (0.41) ALDH1A1POLB
SCHEMBL2411427 0.79 CYP3A4 (0.42) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL9111419 0.78 ADRB2 (0.31)
SCHEMBL18471986 0.76 ALDH1A1 (0.33) ALDH1A1CYP3A4TSHRTDP1POLB
SCHEMBL10046720 0.76 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL282124 0.75 AKR1B1 (0.32) ALDH1A1TP53CYP3A4TDP1POLB
SCHEMBL1663027 0.75 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRTDP1POLB
SCHEMBL5071858 0.72

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 4227/4885TP53 729/4885CYP3A4 754/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 ALDH1A1 4227/4885TP53 729/4885CYP3A4 754/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB ALDH1A1 4038/4885TP53 586/4885CYP3A4 1156/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE ALDH1A1 4147/4885TP53 869/4885CYP3A4 1388/4885

“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.