SCHEMBL16124509

SCHEMBL16124509

CC(C)(C)OC(=O)NCc1cc(I)c(O)c(I)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
KDM4A O75164 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NAMPT P43490 2/20 0.42
GAA P10253 1/20 0.42
SERPINE1 P05121 1/20 0.41
GLS O94925 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL15700313 0.86 HDAC1 (0.44) HDAC1KDM4ATRPV1L3MBTL1NAMPT
SCHEMBL13055397 0.86 KDM4A (0.51) HDAC1KDM4AL3MBTL1NAMPTGAA
SCHEMBL4453472 0.84 NQO2 (0.48) NAMPTGAASERPINE1CA1CA2
SCHEMBL21063347 0.84 KDM4A (0.45) HDAC1KDM4AL3MBTL1NAMPTGAA
SCHEMBL7540531 0.83 GAA (0.47) HDAC1KDM4AL3MBTL1NAMPTGAA
SCHEMBL2959710 0.83 HDAC1 (0.40) HDAC1KDM4AL3MBTL1NAMPTGAA
SCHEMBL21593060 0.83 KDM4A (0.44) HDAC1KDM4AL3MBTL1NAMPTGAA
SCHEMBL8256927 0.83 TSHR (0.50) HDAC1KDM4ATRPV1L3MBTL1NAMPT
SCHEMBL2005452 0.82 TSHR (0.43) HDAC1KDM4AL3MBTL1NAMPTGAA
SCHEMBL2948641 0.82 HDAC1 (0.42) HDAC1KDM4AL3MBTL1NAMPTGAA

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 HDAC1 321/4885KDM4A 195/4885TRPV1 4060/4885

“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.