SCHEMBL19679560

SCHEMBL19679560

NCCCOc1ccc(Oc2c(I)cc(CC(=O)O)cc2I)cc1I

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCNA P12004 10/20 0.62
▸ THRB P10828 8/20 0.62
▸ THRA P10827 6/20 0.62
▸ PPARG P37231 4/20 0.62
▸ LMNA P02545 4/20 0.62
▸ POLB P06746 3/20 0.62
▸ HIF1A Q16665 3/20 0.62
▸ RXRA P19793 2/20 0.62
▸ ABCB11 O95342 2/20 0.62
▸ GABRA1 P14867 2/20 0.62
▸ GABRA2 P47869 2/20 0.62
▸ GABRB2 P47870 2/20 0.62
▸ HPGD P15428 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ PGR P06401 1/20 0.62
▸ CHRM2 P08172 1/20 0.62
▸ HTR1A P08908 1/20 0.62
▸ ADRA2A P08913 1/20 0.62
▸ ADORA3 P0DMS8 1/20 0.62

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
SCHEMBL19679561 0.91 PCNA (0.55) PCNATHRBTHRAPPARGLMNA
SCHEMBL1814819 0.86 THRB (0.66) PCNATHRBTHRAPPARGLMNA
SCHEMBL19679558 0.81 THRB (0.62) PCNATHRBTHRAPPARGLMNA
SCHEMBL12764506 0.78 THRB (0.57) PCNATHRBTHRAPPARGLMNA
Tiratricol SCHEMBL743426 0.77 THRB (1.00) PCNATHRBTHRAPPARGLMNA
Tiratricol SCHEMBL30161572 0.77 THRB (1.00) PCNATHRBTHRAPPARGLMNA
Tiratricol SCHEMBL25149 0.77 THRB (1.00) PCNATHRBTHRAPPARGLMNA
SCHEMBL6858155 0.76 THRB (0.70) PCNATHRBTHRAPPARGLMNA
Tiratricol SCHEMBL2671904 0.76 THRB (0.97) PCNATHRBTHRAPPARGLMNA
Tiratricol SCHEMBL8660328 0.76 THRB (0.97) PCNATHRBTHRAPPARGLMNA

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-20170348425-A1 NON-CLEAVABLE POLYMER CONJUGATED WITH ALPHA V BETA 3 INTEGRIN THYROID ANTAGONISTS NANOPHARMACEUTICALS, LLC 2017-12-07 — — 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-20170348425-A1 NON-CLEAVABLE POLYMER CONJUGATED WITH ALPHA V BETA 3 INTEGRIN THYROID ANTAGONISTS THRA, CD44, ITGAV PCNA 2561/4885THRB 5/4885THRA 1/4885

“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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