Sugi Predict

Sugi Predict / Compounds / SCHEMBL585367

SCHEMBL585367

SCHEMBL585367

CCCCC(=O)CC(=O)c1ccc(OC)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.57
▸ HDAC8 Q9BY41 4/20 0.57
▸ HDAC3 O15379 3/20 0.57
▸ HDAC2 Q92769 3/20 0.57
▸ HDAC4 P56524 2/20 0.57
▸ HDAC7 Q8WUI4 2/20 0.57
▸ HDAC10 Q969S8 2/20 0.57
▸ HDAC11 Q96DB2 2/20 0.57
▸ HDAC6 Q9UBN7 2/20 0.57
▸ HDAC9 Q9UKV0 2/20 0.57
▸ HDAC5 Q9UQL6 2/20 0.57
▸ PDE4B Q07343 1/20 0.55
▸ MMP1 P03956 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54

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
SCHEMBL11134756 0.95 HDAC1 (0.53) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL598907 0.94 HDAC1 (0.58) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL18286487 0.87 MMP1 (0.64) MMP1ALDH1A1LMNAMAPTNPC1
SCHEMBL4530719 0.86 PDE4B (0.72) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL11327776 0.86 HDAC1 (0.57) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL28292838 0.86 NPC1 (0.66) MMP1ALDH1A1LMNAMAPTNPC1
SCHEMBL29219054 0.84 ALDH1A1 (0.66) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL6050444 0.84 ALDH1A1 (0.71) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL11135332 0.83 MMP1 (0.59) MMP1ALDH1A1LMNAMAPTNPC1
SCHEMBL28029377 0.83 HDAC8 (0.65) HDAC1HDAC8HDAC3HDAC2HDAC4

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106946822-B A kind of preparation method of 2- butyl -3- (4- hydroxy benzoyl) benzofuran 华中科技大学 2019-03-05 — — CN claimed
CN-106946822-A A kind of preparation method of 2 butyl 3 (4 hydroxy benzoyl) benzofurans 华中科技大学 2017-07-14 — — CN claimed
CN-109776293-B Method for preparing 1, 3-diketone compound from alkynone 温州大学 2022-04-05 — — CN disclosed
CN-109776293-A A method of 1,3- cyclohexadione compounds are prepared with acetylenic ketone 温州大学 2019-05-21 — — CN disclosed
CN-106946822-B A kind of preparation method of 2- butyl -3- (4- hydroxy benzoyl) benzofuran 华中科技大学 2019-03-05 — — CN disclosed
CN-106946822-A A kind of preparation method of 2 butyl 3 (4 hydroxy benzoyl) benzofurans 华中科技大学 2017-07-14 — — CN disclosed
EP-2636670-B1 Process for preparing benzofurans CAMBREX KARLSKOGA AB (SE) 2016-06-01 — — EP disclosed
EP-2417099-B1 NEW PROCESS FOR PREPARING HYDROXYLAMINES AND MEDICAMENTS CAMBREX KARLSKOGA AB (SE) 2015-12-23 — — EP disclosed
EP-2388256-B1 Process for preparing benzofurans CAMBREX KARLSKOGA AB (SE) 2015-11-25 — — EP disclosed
US-20140206761-A1 PROCESS FOR PREPARING HYDROXYLAMINES AND MEDICAMENTS CAMBREX KARLSKOGA AB (SE) 2014-07-24 — — US disclosed
US-8779201-B2 Process for preparing benzofurans CAMBREX KARLSKOGA AB (SE) 2014-07-15 — — US disclosed
US-20110178314-A1 PROCESS FOR PREPARING 2-ALKYL-3-AROYL-5-NITRO-BENZOFURANS LONZA AG (CH) 2011-07-21 — — US disclosed
EP-2344467-A1 PROCESS FOR PREPARING 2-ALKYL-3-AROYL-5-NITRO-BENZOFURANS Lonza Ltd. (CH) 2011-07-20 — — EP disclosed
US-20100292319-A1 PROCESS FOR PREPARING BENZOFURANS CAMBREX KARLSKOGA AB (SE) 2010-11-18 — — US disclosed
EP-2246341-A1 Process for preparing 2-Alkyl-3-aroyl-5-nitro-benzofurans Lonza Ltd. (CH) 2010-11-03 — — EP disclosed
WO-2010116140-A1 NEW PROCESS FOR PREPARING HYDROXYLAMINES AND MEDICAMENTS CAMBREX KARLSKOGA AB (SE) 2010-10-14 — — WO disclosed
EP-2200993-A2 PROCESS FOR PREPARING BENZOFURANS Cambrex Karlskoga AB (SE) 2010-06-30 — — EP disclosed
WO-2010040261-A1 PROCESS FOR PREPARING 2-ALKYL-3-AROYL-5-NITRO-BENZOFURANS LONZA LTD (CH) 2010-04-15 — — WO disclosed
WO-2009050115-A1 PHOTOLATENT CATALYSTS BASED ON ORGANOMETALLIC COMPOUNDS BASF SE (CH) 2009-04-23 — — WO disclosed
WO-2009044143-A2 PROCESS FOR PREPARING BENZOFURANS CAMBREX KARLSKOGA AB (SE) 2009-04-09 — — 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 (3 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-20140206761-A1 PROCESS FOR PREPARING HYDROXYLAMINES AND MEDICAMENTS CYP3A4, CYP1A2, CYP2D6 HDAC1 3266/4885HDAC8 4278/4885HDAC3 2732/4885
US-20100292319-A1 PROCESS FOR PREPARING BENZOFURANS CYP2F1, CYP3A4, CYP4F3 HDAC1 3046/4885HDAC8 4103/4885HDAC3 2124/4885
US-20110178314-A1 PROCESS FOR PREPARING 2-ALKYL-3-AROYL-5-NITRO-BENZOFURANS NR4A3, CBR3, NR4A1 HDAC1 2869/4885HDAC8 3412/4885HDAC3 1434/4885

“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.