SCHEMBL6535682

SCHEMBL6535682

COC(=O)CCC1=CC(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NSD2 O96028 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTPN1 P18031 4/20 0.50
CDC25A P30304 3/20 0.46
CDC25B P30305 3/20 0.46
IDO1 P14902 2/20 0.46
PTPRC P08575 5/20 0.46
PTPN13 Q12923 2/20 0.46
PKM P14618 2/20 0.43
PLIN1 O60240 1/20 0.42
NR1I2 O75469 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GSR P00390 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL11412192 0.84 CYP19A1 (0.56) CYP19A1MEN1KMT2ANSD2L3MBTL1
SCHEMBL6535771 0.81 CDC25A (0.56) CYP19A1MEN1KMT2ANSD2L3MBTL1
SCHEMBL28808062 0.78 PKM (0.48) CYP19A1MEN1KMT2ANSD2L3MBTL1
SCHEMBL5810776 0.78 PARK7 (0.58) MEN1KMT2ANSD2L3MBTL1PTPN1
SCHEMBL11268928 0.77 HDAC6 (0.48) CYP19A1MEN1KMT2ANSD2L3MBTL1
Acetone SCHEMBL29195741 0.76 MEN1 (0.48) CYP19A1MEN1KMT2ANSD2L3MBTL1
SCHEMBL10446227 0.76 MEN1 (0.48) CYP19A1MEN1KMT2ANSD2L3MBTL1
SCHEMBL2239034 0.75 S100A4 (0.70) CDC25ACDC25BCDC25CMAP2K7S100A4
SCHEMBL128020 0.75 S100A4 (0.53) CYP19A1MEN1KMT2ANSD2L3MBTL1
SCHEMBL30673380 0.75 S100A4 (0.53) CYP19A1MEN1KMT2ANSD2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS CCNA1, MKI67, CCNT1 CYP19A1 355/4885MEN1 937/4885KMT2A 3068/4885

“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.