SCHEMBL4451726

SCHEMBL4451726

CC(C)(C)OC(=O)NCCc1ccc(O)c(I)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
PTGS1 P23219 1/20 0.51
BLM P54132 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA2 P00918 7/20 0.50
CA1 P00915 4/20 0.50
NQO2 P16083 1/20 0.47
NAMPT P43490 1/20 0.46
HDAC1 Q13547 1/20 0.44
PTGS2 P35354 1/20 0.43
JAK3 P52333 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PTGER4 P35408 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL13886705 0.89 PCNA (0.44) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL13886704 0.88 CA2 (0.47) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL30423117 0.87 MAPT (0.63) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL233765 0.87 MAPT (0.63) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL4453472 0.86 NQO2 (0.48) MAPTLMNAKDM4EALDH1A1CA2
SCHEMBL13886708 0.86 PCNA (0.59) MAPTLMNAALDH1A1HPGDBLM
SCHEMBL7239692 0.85 CA2 (0.49) MAPTLMNACA2CA1NQO2
SCHEMBL3698093 0.85 ESRRG (0.53) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL16415452 0.84 CA2 (0.46) MAPTLMNACA2CA1NQO2
SCHEMBL21307485 0.84 CA2 (0.53) MAPTLMNAKDM4EALDH1A1HPGD

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380520-A1 STRONG BINDING METAL-CHELATING RESINS USING MACROCYCLE MOLECULES SACHEM, INC. 2022-12-01 US disclosed
WO-2010112211-A1 METHOD FOR ARYLATING RING-SUBSTITUTED PHENOLS AND PHENYLETHERS Technische Universität München (DE) 2010-10-07 WO disclosed
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7339079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-04 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 US disclosed
EP-1625111-A4 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2007-04-25 EP disclosed
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-16 US disclosed
EP-1625111-A2 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-02-15 EP disclosed
US-6979750-B1 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-27 US disclosed
US-20050267207-A1 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-01 US disclosed
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-05 US disclosed
WO-2004093800-A2 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-11-04 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-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF TPO, TSHR, THRB MAPT 4451/4885LMNA 2078/4885KDM4E 3754/4885
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB MAPT 4353/4885LMNA 2329/4885KDM4E 3632/4885
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB MAPT 4451/4885LMNA 2078/4885KDM4E 3754/4885
US-20050267207-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB MAPT 4353/4885LMNA 2329/4885KDM4E 3632/4885

“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.