SCHEMBL6345587

SCHEMBL6345587

O=C1C(O)=C(c2ccc3ccccc3c2)C(=O)C(O)=C1c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45
GSTP1 P09211 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ALOX5 P09917 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
EGFR P00533 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ACMSD Q8TDX5 1/20 0.41
CA1 P00915 1/20 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
SCHEMBL6339829 0.90 ESR1 (0.53) SENP1CYP1A2HDAC4HDAC2HDAC8
SCHEMBL6337913 0.88 SENP1 (0.52) SENP1CYP1A2HDAC4HDAC2HDAC8
SCHEMBL6342242 0.84 SENP1 (0.47) SENP1CYP2A6HDAC4HDAC2HDAC8
SCHEMBL6348777 0.84 SENP1 (0.47) SENP1CYP2A6HDAC4HDAC2HDAC8
SCHEMBL6340096 0.81 ME2 (0.73) SENP1CYP1A2CYP2A6HDAC4HDAC2
SCHEMBL6349671 0.79 MAPT (0.49) SENP1HDAC4HDAC2HDAC8ME2
SCHEMBL6340147 0.78 HSD17B1 (0.47) SENP1CYP1A2CYP2A6HDAC4HDAC2
SCHEMBL6348854 0.78 PGR (0.49) CYP1A2HDAC4HDAC2HDAC8HSD17B1
SCHEMBL6348816 0.77 HDAC4 (0.49) SENP1CYP1A2HDAC4HDAC2HDAC8
SCHEMBL6338544 0.76 SENP1 (0.46) SENP1CYP2A6ME2ME1ME3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1274655-C Novel 3-aryl-2,5-dihydroxy-1,4-benzoquinone derivatives, their preparation method and pharmaceutical compositions containing same SERVIER LAB (FR) 2006-09-13 CN disclosed
CN-1628088-A Novel 3-aryl-2, 5-dihydroxy-1, 4-benzoquinones, process for preparing same and pharmaceutical compositions containing same SERVIER LAB (FR) 2005-06-15 CN disclosed
US-20050085644-A1 Novel 3-aryl-2,5-dihydroxy-1,4-benzoquinone derivatives, their preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2005-04-21 US disclosed
EP-1472208-A1 NOVEL 3-ARYL-2,5-DIHYDROXY-1,4-BENZOQUINONE DERIVATIVES, THEIR PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2004-11-03 EP disclosed
WO-2003066561-A1 NOVEL 3-ARYL-2,5-DIHYDROXY-1,4-BENZOQUINONE DERIVATIVES, THEIR PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2003-08-14 WO 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-20050085644-A1 Novel 3-aryl-2,5-dihydroxy-1,4-benzoquinone derivatives, their preparation method and pharmaceutical compositions containing same GPR119, UGT1A1, UGT1A3 SENP1 4515/4885CYP1A2 61/4885CYP2A6 59/4885

“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.