SCHEMBL13886598

SCHEMBL13886598

NCCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR5 O14804 1/20 0.68
TAAR1 Q96RJ0 1/20 0.68
PCNA P12004 11/20 0.67
LIG1 P18858 1/20 0.61
POLB P06746 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL14308671 0.87 TAAR5 (0.58) TAAR5TAAR1PCNALIG1
SCHEMBL14485265 0.87 PCNA (0.64) TAAR5TAAR1PCNALIG1
SCHEMBL12921186 0.84 THRB (0.68) TAAR5TAAR1PCNAPOLBTHRA
SCHEMBL22382794 0.84 PCNA (0.67) TAAR5TAAR1PCNALIG1POLB
SCHEMBL14264010 0.84 PCNA (0.67) TAAR5TAAR1PCNALIG1POLB
SCHEMBL16126016 0.84 PCNA (0.65) TAAR5TAAR1PCNALIG1
SCHEMBL13886596 0.82 THRB (0.60) TAAR5TAAR1PCNAPOLBTHRA
SCHEMBL16124480 0.81 PCNA (0.63) TAAR5TAAR1PCNALIG1
SCHEMBL4005004 0.81 PCNA (0.66) TAAR5TAAR1PCNALIG1POLB
SCHEMBL29374539 0.81 TAAR1 (1.00) TAAR5TAAR1MAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117554536-B Simultaneous analysis method for 15 thyroid hormones in environmental water sample 北京林业大学 2024-03-19 CN claimed
CN-117554536-A Simultaneous analysis method for 15 thyroid hormones in environmental water sample 北京林业大学 2024-02-13 CN claimed
CN-114609266-B Application of marker in preparation of diagnostic reagent for thyroid related diseases 徐州医科大学 2023-03-24 CN claimed
CN-114609265-B Method for detecting eight thyroid hormone markers in serum by liquid chromatography tandem mass spectrometry technology 徐州医科大学 2023-01-24 CN claimed
CN-114609266-A Application of marker in preparation of diagnostic reagent for thyroid related diseases 徐州医科大学 2022-06-10 CN claimed
CN-114609265-A Method for detecting eight thyroid hormone markers in serum by liquid chromatography tandem mass spectrometry technology 徐州医科大学 2022-06-10 CN claimed
CN-114609266-B Application of marker in preparation of diagnostic reagent for thyroid related diseases 徐州医科大学 2023-03-24 CN disclosed
CN-114609265-B Method for detecting eight thyroid hormone markers in serum by liquid chromatography tandem mass spectrometry technology 徐州医科大学 2023-01-24 CN disclosed
CN-112246221-B Polyion liquid covalent organic framework material, preparation method and application thereof 徐州医科大学 2023-01-20 CN disclosed
CN-112246221-B Polyion liquid covalent organic framework material, preparation method and application thereof 徐州医科大学 2023-01-20 CN disclosed
CN-114609265-A Method for detecting eight thyroid hormone markers in serum by liquid chromatography tandem mass spectrometry technology 徐州医科大学 2022-06-10 CN disclosed
CN-114609266-A Application of marker in preparation of diagnostic reagent for thyroid related diseases 徐州医科大学 2022-06-10 CN disclosed
US-20140288077-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-09-25 US disclosed
US-20140288077-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-09-25 US disclosed
WO-2013006734-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2013-01-10 WO 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-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

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-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF TPO, TSHR, THRB TAAR5 30/4885TAAR1 198/4885PCNA 4495/4885
US-20140288077-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY MKI67, PCNA, PCLAF TAAR5 4442/4885TAAR1 4477/4885PCNA 2/4885

“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.