Sugi Predict

Sugi Predict / Compounds / SCHEMBL6340147

SCHEMBL6340147

SCHEMBL6340147

O=C1C(O)=C(c2ccc3ccccc3c2)C(=O)C(O)=C1c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.47
▸ HSD17B2 P37059 1/20 0.47
▸ CNR1 P21554 1/20 0.44
▸ ALOX5 P09917 2/20 0.44
▸ HSP90AA1 P07900 2/20 0.43
▸ HSP90AB1 P08238 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ ESR2 Q92731 2/20 0.42
▸ GSTP1 P09211 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ MIF P14174 1/20 0.41
▸ SENP1 Q9P0U3 1/20 0.41
▸ CYP1A1 P04798 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP1B1 Q16678 2/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ GSK3B P49841 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
SCHEMBL6348777 0.88 SENP1 (0.47) HSD17B1HSD17B2CNR1ALOX5HSP90AA1
SCHEMBL6339829 0.87 ESR1 (0.53) HSD17B1HSD17B2ALOX5HDAC4HDAC2
SCHEMBL6337913 0.85 SENP1 (0.52) HSD17B1HSD17B2ALOX5HDAC4HDAC2
SCHEMBL6348816 0.81 HDAC4 (0.49) HSD17B1HSD17B2ALOX5HDAC4HDAC2
SCHEMBL23025048 0.80 CYP2A6 (0.60) HSD17B1HSD17B2CNR1ALOX5CYP2A6
SCHEMBL6348854 0.78 PGR (0.49) HSD17B1HSD17B2HDAC4HDAC2HDAC8
SCHEMBL6345587 0.78 SENP1 (0.47) HSD17B1HSD17B2ALOX5HDAC4HDAC2
SCHEMBL6342242 0.78 SENP1 (0.47) HSD17B1HSD17B2ALOX5HSP90AA1HDAC4
SCHEMBL6340096 0.76 ME2 (0.73) ALOX5HSP90AA1HSP90AB1HDAC4HDAC2
SCHEMBL6338544 0.74 SENP1 (0.46) HSD17B1HSD17B2CYP2A6ESR2ESR1

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 HSD17B1 83/4885HSD17B2 75/4885CNR1 627/4885

“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.