SCHEMBL16124514

SCHEMBL16124514

COc1ccc(Oc2c(I)cc(C[C@H](N)CO)cc2I)cc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCNA P12004 8/20 0.64
▸ LIG1 P18858 1/20 0.64
▸ THRB P10828 9/20 0.46
▸ THRA P10827 5/20 0.46
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ LMNA P02545 4/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ GABRP O00591 1/20 0.45
▸ GABRD O14764 1/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ F2 P00734 1/20 0.45
▸ GABRA1 P14867 1/20 0.45
▸ GABRB1 P18505 1/20 0.45
▸ GABRG2 P18507 1/20 0.45
▸ GABRB3 P28472 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ GABRA5 P31644 1/20 0.45
▸ GABRA3 P34903 1/20 0.45

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
SCHEMBL16124461 0.85 PCNA (0.70) PCNALIG1THRBTHRAMEN1
SCHEMBL16124512 0.83 THRB (0.53) PCNATHRBTHRAMEN1KMT2A
SCHEMBL16124462 0.79 PCNA (0.76) PCNALIG1THRBTHRAMEN1
SCHEMBL19309275 0.79 PCNA (0.76) PCNALIG1THRBTHRAMEN1
SCHEMBL14485381 0.78 PCNA (1.00) PCNALIG1THRBTHRAMEN1
SCHEMBL14485176 0.78 PCNA (1.00) PCNALIG1THRBTHRAMEN1
SCHEMBL14485173 0.78 PCNA (1.00) PCNALIG1THRBTHRAMEN1
SCHEMBL22382798 0.78 PCNA (0.83) PCNALIG1THRBTHRAMEN1
SCHEMBL16124481 0.76 PCNA (0.56) PCNALIG1THRBTHRAMEN1
SCHEMBL25488726 0.74 THRB (0.72) PCNATHRBTHRAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20140288077-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY MKI67, PCNA, PCLAF PCNA 2/4885LIG1 1098/4885THRB 2853/4885

“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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