SCHEMBL282523

SCHEMBL282523

COc1ccc([I+]c2ccc(OC)c(C(C)C)c2)cc1C(C)C.F[B-](F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ KCNK3 O14649 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ BLM P54132 1/20 0.34

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
SCHEMBL6545793 1.00 ALDH1A1 (0.38) ALDH1A1TSHRPOLBGAAGFER
SCHEMBL2045622 0.93 ALDH1A1 (0.42) ALDH1A1TSHRPOLBGAAGFER
SCHEMBL5881508 0.87 ALDH1A1 (0.40) ALDH1A1TSHRPOLBGAAGFER
SCHEMBL27600073 0.77 ALDH1A1 (0.39) ALDH1A1TSHRPOLBGAAGFER
SCHEMBL5548791 0.77 RARG (0.30) POLBGAAGFER
SCHEMBL5413341 0.76 GLRA1 (0.44) ALDH1A1MAPTADRA1AMAPK1
SCHEMBL7592828 0.72 ALDH1A1 (0.41) ALDH1A1GAACA1CA2CA7
SCHEMBL8119851 0.72 NFE2L2 (0.43) ALDH1A1TSHRPOLBGAAGFER
SCHEMBL13395132 0.71 CYP2D6 (0.42) ALDH1A1TSHRPOLBGAAGFER
SCHEMBL739698 0.70 HDAC4 (0.48) ALDH1A1TSHRPOLBGAAGFER

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 99 patents — showing the first 20. 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
US-7342127-B2 Substituted anilide ligands for the thyroid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 — — US disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 — — EP disclosed
WO-2000072811-A1 METHOD OF TREATING HAIR LOSS THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2000-12-07 — — WO disclosed
EP-1000008-A1 NOVEL THYROID RECEPTOR LIGANDS AND METHOD KARO BIO AB (SE) 2000-05-17 — — EP disclosed
WO-2000007972-A1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KARO BIO AB (SE) 2000-02-17 — — WO disclosed
WO-1999063976-A2 LIVER-SELECTIVE GLUCOCORTICOID ANTAGONIST FOR TREATING DIABETES KARO BIO AB (SE) 1999-12-16 — — WO disclosed
WO-1999000353-A1 NOVEL THYROID RECEPTOR LIGANDS AND METHOD KARO BIO AB (SE) 1999-01-07 — — WO disclosed
EP-0580550-B1 Oxamic acid derivatives as hypocholesteremic agents CIBA GEIGY AG (CH) 1997-10-22 — — EP disclosed
US-5654468-A ANTILIPID, ANTICHOLESTEROL AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 — — US disclosed
US-5569674-A ANTICHOLESTEROL AGENTS CIBA-GEIGY CORPORATION (US) 1996-10-29 — — US disclosed
US-5401772-A Anticholesterol agents with aromatic amines CIBA-GEIGY CORPORATION (US) 1995-03-28 — — US disclosed
EP-0580550-A1 Oxamic acid derivatives as hypocholesteremic agents CIBA-GEIGY AG (CH) 1994-01-26 — — 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 (3 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 4227/4885TSHR 12/4885POLB 3808/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB ALDH1A1 4038/4885TSHR 6/4885POLB 3605/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE ALDH1A1 4147/4885TSHR 20/4885POLB 4230/4885

“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.

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