SCHEMBL6339508

SCHEMBL6339508

O=C1C(O)=C(c2ccc(Br)cc2)C(=O)C(O)=C1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.57
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 2/20 0.54
P2RX7 Q99572 1/20 0.53
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48
ME3 Q16798 1/20 0.48
EGFR P00533 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 1/20 0.47
XBP1 P17861 1/20 0.47
MPI P34949 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL2445444 0.87 P2RX7 (0.65) SENP1ALDH1A1P2RX7ME2ME1
SCHEMBL6338544 0.85 SENP1 (0.46) SENP1MAPK1ALDH1A1P2RX7ME2
SCHEMBL6342242 0.83 SENP1 (0.47) SENP1MAPK1ME2ME1ME3
SCHEMBL6341687 0.81 P2RX7 (0.41) SENP1MAPK1ALDH1A1P2RX7MEN1
SCHEMBL6342243 0.81 SENP1 (0.42) SENP1MAPK1ALDH1A1P2RX7ME2
SCHEMBL6341684 0.81 P2RX7 (0.41) SENP1MAPK1ALDH1A1P2RX7MEN1
SCHEMBL6342241 0.81 SENP1 (0.42) SENP1MAPK1ALDH1A1P2RX7ME2
SCHEMBL28351836 0.81 ALDH1A1 (0.61) MAPK1ALDH1A1P2RX7MEN1KMT2A
SCHEMBL4916317 0.81 ALDH1A1 (0.61) MAPK1ALDH1A1P2RX7MEN1KMT2A
SCHEMBL11619315 0.81 ALDH1A1 (0.61) MAPK1ALDH1A1P2RX7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 4515/4885MAPK1 2646/4885ALDH1A1 329/4885

“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.