SCHEMBL6535771

SCHEMBL6535771

O=C(O)CCC1=CC(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 5/20 0.56
CDC25B P30305 5/20 0.56
MAP2K7 O14733 4/20 0.56
S100A4 P26447 1/20 0.56
BACE1 P56817 2/20 0.49
PTPN1 P18031 1/20 0.49
PARK7 Q99497 1/20 0.47
KEAP1 Q14145 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NSD2 O96028 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP19A1 P11511 1/20 0.45
BLM P54132 2/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TDP2 O95551 1/20 0.44
G6PD P11413 1/20 0.44
PAX8 Q06710 1/20 0.44
HKDC1 Q2TB90 1/20 0.44

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
SCHEMBL21878874 0.90 CDC25A (0.54) CDC25ACDC25BMAP2K7S100A4BACE1
SCHEMBL30692083 0.90 CDC25A (0.54) CDC25ACDC25BMAP2K7S100A4BACE1
SCHEMBL28109252 0.87 MAPT (0.51) CDC25ACDC25BMAP2K7S100A4PTPN1
SCHEMBL11268928 0.85 HDAC6 (0.48) CDC25ACDC25BMAP2K7S100A4BACE1
SCHEMBL5810776 0.83 PARK7 (0.58) CDC25ACDC25BS100A4BACE1PTPN1
SCHEMBL8615961 0.82 CDC25B (0.54) CDC25ACDC25BMAP2K7S100A4BACE1
SCHEMBL6535682 0.81 CYP19A1 (0.53) CDC25ACDC25BMAP2K7S100A4PTPN1
SCHEMBL128020 0.80 S100A4 (0.53) CDC25ACDC25BMAP2K7S100A4BACE1
SCHEMBL30673380 0.80 S100A4 (0.53) CDC25ACDC25BMAP2K7S100A4BACE1
SCHEMBL28808062 0.80 PKM (0.48) CDC25ACDC25BMAP2K7S100A4PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099917-A1 REVERSIBLY REDUCIBLE MATERIALS AND USE THEREOF UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-04-12 US disclosed
US-20150192852-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD FUJIFILM CORPORATION (JP) 2015-07-09 US disclosed
US-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2009-10-01 US disclosed
US-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2009-10-01 US disclosed
WO-2007125196-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2007-11-08 WO disclosed
EP-1015422-A4 HIV MATRIX PROTEIN TYROSINE POSITION 29 POCKET BINDERS PICOWER INST MED RES (US) 2004-12-08 EP disclosed
EP-1015422-A1 HIV MATRIX PROTEIN TYROSINE POSITION 29 POCKET BINDERS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2000-07-05 EP disclosed
WO-1999009005-A1 HIV MATRIX PROTEIN TYROSINE POSITION 29 POCKET BINDERS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1999-02-25 WO disclosed
US-5849793-A HIV matrix protein tyrosine position 29 pocket binders THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-12-15 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 (2 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-20180099917-A1 REVERSIBLY REDUCIBLE MATERIALS AND USE THEREOF NES, CBR3, SQOR CDC25A 589/4885CDC25B 809/4885MAP2K7 4586/4885
US-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS CCNA1, MKI67, CCNT1 CDC25A 14/4885CDC25B 90/4885MAP2K7 1918/4885

“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.