SCHEMBL19679558

SCHEMBL19679558

C#CCOc1ccc(Oc2c(I)cc(CC(=O)O)cc2I)cc1I

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 12/20 0.62
▸ THRA P10827 11/20 0.62
▸ PCNA P12004 9/20 0.62
▸ PPARG P37231 4/20 0.62
▸ LMNA P02545 3/20 0.62
▸ RXRA P19793 2/20 0.62
▸ POLB P06746 2/20 0.62
▸ HIF1A Q16665 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
▸ 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
▸ AR P10275 1/20 0.62
▸ CYP2C9 P11712 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
SCHEMBL19665912 0.86 THRB (0.66) THRBTHRAPCNAPPARGLMNA
SCHEMBL19679560 0.81 PCNA (0.62) THRBTHRAPCNAPPARGLMNA
Tiratricol SCHEMBL30161572 0.77 THRB (1.00) THRBTHRAPCNAPPARGLMNA
Tiratricol SCHEMBL25149 0.77 THRB (1.00) THRBTHRAPCNAPPARGLMNA
Tiratricol SCHEMBL743426 0.77 THRB (1.00) THRBTHRAPCNAPPARGLMNA
SCHEMBL19679561 0.76 PCNA (0.55) THRBTHRAPCNAPPARGLMNA
Tiratricol SCHEMBL2671904 0.76 THRB (0.97) THRBTHRAPCNAPPARGLMNA
Tiratricol SCHEMBL10701956 0.76 THRB (0.97) THRBTHRAPCNAPPARGLMNA
Tiratricol SCHEMBL8660328 0.76 THRB (0.97) THRBTHRAPCNAPPARGLMNA
SCHEMBL5742613 0.74 PCNA (0.74) THRBTHRAPCNAPPARGLMNA

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 THRB 5/4885THRA 1/4885PCNA 2561/4885

“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.

Send feedback