SCHEMBL5545767

SCHEMBL5545767

CC(C)c1cc(Oc2c(I)cc(C[C@H](N)C(=O)O)cc2I)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 1.00
THRA P10827 7/20 1.00
MEN1 O00255 6/20 0.77
KMT2A Q03164 6/20 0.77
LMNA P02545 5/20 0.77
PCNA P12004 2/20 0.77
PPARG P37231 2/20 0.77
CYP2D6 P10635 1/20 0.77
TSHR P16473 1/20 0.77
GABRP O00591 1/20 0.77
GABRD O14764 1/20 0.77
ABCB11 O95342 1/20 0.77
F2 P00734 1/20 0.77
GABRA1 P14867 1/20 0.77
GABRB1 P18505 1/20 0.77
GABRG2 P18507 1/20 0.77
GABRB3 P28472 1/20 0.77
ADORA1 P30542 1/20 0.77
GABRA5 P31644 1/20 0.77
GABRA3 P34903 1/20 0.77

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
SCHEMBL9619560 1.00 THRB (1.00) THRBTHRAMEN1KMT2ALMNA
SCHEMBL9170207 1.00 THRB (1.00) THRBTHRAMEN1KMT2ALMNA
SCHEMBL6827511 0.91 THRB (0.84) THRBTHRAMEN1KMT2ALMNA
SCHEMBL7277669 0.90 THRB (0.84) THRBTHRAMEN1KMT2ALMNA
SCHEMBL7277661 0.90 THRB (0.84) THRBTHRAMEN1KMT2ALMNA
SCHEMBL5549652 0.88 THRB (1.00) THRBTHRAMEN1KMT2ALMNA
SCHEMBL3219487 0.88 THRB (1.00) THRBTHRAMEN1KMT2ALMNA
SCHEMBL3219497 0.88 THRB (1.00) THRBTHRAMEN1KMT2ALMNA
SCHEMBL7276775 0.87 THRB (0.77) THRBTHRAMEN1KMT2ALMNA
SCHEMBL7276780 0.87 THRB (0.77) THRBTHRAMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0163122-B1 METHOD FOR THE DETERMINATION OF FREE SUBSTANCES IN BIOLOGICAL FLUIDS Henning Berlin GmbH Chemie- und Pharmawerk (DE) 1992-03-04 EP claimed
US-20070027215-A1 Nuclear receptor ligands and ligand binding domains THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-01 US disclosed
EP-0873361-B1 Crystals of the ligand-binding domain of the thyroid hormone receptor complexed to a ligand UNIV CALIFORNIA (US) 2006-11-02 EP disclosed
US-7122579-B2 Eye treatments using synthetic thyroid hormone compositions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-10-17 US disclosed
US-20030175849-A1 Eye treatments using synthetic thyroid hormone compositions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-09-18 US disclosed
US-6555582-B1 Topically applying a synthetic thyroid hormone to inhibit hyaluronic acid secretion to treat elevated intraocular pressure and glaucoma THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-04-29 US disclosed
EP-0873361-A4 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS UNIV CALIFORNIA (US) 2002-10-23 EP disclosed
EP-1003530-A4 EYE TREATMENTS USING SYNTHETIC THYROID HORMONE COMPOSITIONS UNIV CALIFORNIA (US) 2001-10-04 EP disclosed
US-6236946-B1 Nuclear receptor ligands and ligand binding domains NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-05-22 US disclosed
EP-1034184-A2 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS The Regents of the University of California (US) 2000-09-13 EP disclosed
EP-1003530-A1 EYE TREATMENTS USING SYNTHETIC THYROID HORMONE COMPOSITIONS The Regents of the University of California (US) 2000-05-31 EP disclosed
US-6054485-A FOR TREATMENT OF GLAUCOMA REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-04-25 US disclosed
WO-1999026966-A2 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-06-03 WO disclosed
EP-0873361-A2 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-10-28 EP disclosed
WO-1998007435-A9 EYE TREATMENTS USING SYNTHETIC THYROID HORMONE COMPOSITIONS 1998-08-06 WO disclosed
WO-1998007435-A1 EYE TREATMENTS USING SYNTHETIC THYROID HORMONE COMPOSITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-02-26 WO disclosed
WO-1997021993-A2 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-06-19 WO disclosed
EP-0466909-B1 THYROID HORMONE FOR CARDIAC TREATMENT BRITISH TECH GROUP USA (US) 1995-06-28 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 (2 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-20070027215-A1 Nuclear receptor ligands and ligand binding domains TSHR, NR5A2, THRA THRB 6/4885THRA 3/4885MEN1 3633/4885
US-20030175849-A1 Eye treatments using synthetic thyroid hormone compositions ADAMTS5, TRHDE, ADAMTS1 THRB 17/4885THRA 12/4885MEN1 268/4885

“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.