SCHEMBL12866354

SCHEMBL12866354

COC(=O)C(N)Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
PPARG P37231 3/20 0.63
BLM P54132 2/20 0.63
NR1I2 O75469 1/20 0.63
AGTR2 P50052 1/20 0.63
THRB P10828 9/20 0.57
THRA P10827 6/20 0.57
PCNA P12004 5/20 0.57
LMNA P02545 4/20 0.57
ABCB11 O95342 2/20 0.57
GABRA1 P14867 2/20 0.57
GABRA2 P47869 2/20 0.57
GABRB2 P47870 2/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
GABRP O00591 1/20 0.57
GABRD O14764 1/20 0.57
F2 P00734 1/20 0.57
GABRB1 P18505 1/20 0.57

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
SCHEMBL12866348 0.90 MEN1 (0.78) MEN1KMT2APPARGBLMNR1I2
SCHEMBL12866370 0.88 NR1I2 (0.62) MEN1KMT2APPARGBLMNR1I2
SCHEMBL12866377 0.88 THRB (0.58) MEN1KMT2APPARGBLMNR1I2
SCHEMBL9647408 0.88 THRB (0.52) MEN1KMT2APPARGBLMNR1I2
SCHEMBL951158 0.88 THRB (0.52) MEN1KMT2APPARGBLMNR1I2
Diiodothyronine SCHEMBL677645 0.87 MEN1 (0.78) MEN1KMT2APPARGBLMNR1I2
Diiodothyronine SCHEMBL31613058 0.87 MEN1 (0.78) MEN1KMT2APPARGBLMNR1I2
Diiodothyronine SCHEMBL29374527 0.87 MEN1 (0.78) MEN1KMT2APPARGBLMNR1I2
Diiodothyronine SCHEMBL29410661 0.87 MEN1 (0.78) MEN1KMT2APPARGBLMNR1I2
Diiodothyronine SCHEMBL935895 0.87 MEN1 (0.78) MEN1KMT2APPARGBLMNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028554-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIIODOTHYRONINE AND THEIR THERAPEUTIC USE UNIVERSITE JOSEPH FOURIER (FR) 2011-02-03 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 (1 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-20110028554-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIIODOTHYRONINE AND THEIR THERAPEUTIC USE TPO, HSD3B2, THRB MEN1 692/4885KMT2A 2483/4885PPARG 189/4885

“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.