SCHEMBL16126154

SCHEMBL16126154

O=C(CCc1cc(I)c(Cc2ccc(O)c(C(=O)Nc3ccccc3)c2)c(I)c1)NCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 5/20 0.46
▸ PCNA P12004 1/20 0.46
▸ HDAC3 O15379 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ TMPRSS4 Q9NRS4 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ ERCC1 P07992 2/20 0.39
▸ ERCC4 Q92889 2/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39

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
SCHEMBL16124417 0.84 PCNA (0.63) ALOX15PCNALMNAHPGDHSD17B10
SCHEMBL16124464 0.77 PCNA (0.53) ALOX15PCNALMNAHPGDHSD17B10
SCHEMBL14553380 0.76 THRB (0.52) ALOX15PCNAHDAC3EGFRHDAC4
SCHEMBL6283982 0.72 HNF4A (0.67) ALOX15HDAC3EGFRHDAC4HDAC1
SCHEMBL16124418 0.72 PCNA (0.63) PCNAERCC1ERCC4LMNAHPGD
SCHEMBL14488333 0.72 THRB (0.44) ALOX15PCNAHDAC3EGFRHDAC4
SCHEMBL16124502 0.71 THRB (0.66) PCNATMPRSS4LMNAHPGDHSD17B10
SCHEMBL16124445 0.69 PCNA (0.56) ALOX15PCNAHDAC3EGFRHDAC4
SCHEMBL18392440 0.67 ERCC1 (0.60) ALOX15PCNAERCC1ERCC4MEN1
SCHEMBL3681101 0.67 CNR2 (0.68) HDAC3HDAC4HDAC1HDAC2HDAC10

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-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 ALOX15 4033/4885PCNA 2/4885HDAC3 541/4885

“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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