SCHEMBL758673

SCHEMBL758673

COc1ccc(C(O)C(C)C)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.68
PPARD Q03181 1/20 0.68
PPARA Q07869 1/20 0.68
ACHE P22303 3/20 0.62
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TUBB4A P04350 2/20 0.54
TUBB P07437 2/20 0.54
TUBA3C P0DPH7 2/20 0.54
TUBA1B P68363 2/20 0.54
TUBA4A P68366 2/20 0.54
TUBB4B P68371 2/20 0.54
TUBB3 Q13509 2/20 0.54
TUBB2A Q13885 2/20 0.54
TUBB8 Q3ZCM7 2/20 0.54
TUBA3E Q6PEY2 2/20 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
SCHEMBL30366304 0.90 PPARG (0.66) PPARGPPARDPPARAACHECYP1A2
SCHEMBL10343408 0.90 PPARG (0.66) PPARGPPARDPPARAACHECYP1A2
SCHEMBL28957718 0.90 PPARG (0.66) PPARGPPARDPPARAACHECYP1A2
SCHEMBL10774314 0.86 ACHE (0.66) PPARGPPARDPPARAACHECYP1A2
SCHEMBL3659342 0.86 ACHE (0.66) PPARGPPARDPPARAACHECYP1A2
SCHEMBL28252970 0.86 PPARG (0.62) PPARGPPARDPPARAACHECYP1A2
SCHEMBL8238025 0.85 PPARG (0.59) PPARGPPARDPPARAACHECYP1A2
SCHEMBL670305 0.85 PPARG (0.59) PPARGPPARDPPARAACHECYP1A2
SCHEMBL16174343 0.84 TSHR (0.64) ACHENPSR1TUBB4ATUBBTUBA3C
SCHEMBL19846173 0.83 PPARG (0.73) PPARGPPARDPPARAACHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608232-B1 Acylating an aromatic compound in presence of zeolite or friedel crafts catalyst, reduction to a carbinol and cata-lytic etherification Chimie, Rhodia (FR) 2003-08-19 US claimed
EP-0994838-B1 METHOD FOR ETHERIFYING A BENZYL ALCOHOL, RESULTING PRODUCTS AND APPLICATIONS RHODIA CHIMIE SA (FR) 2003-05-21 EP claimed
US-6362378-B1 REACTION WITH AN ALCOHOL; ZEOLITE CATALYST; PERFUMES RHODIA CHIMIE (FR) 2002-03-26 US claimed
EP-1140758-A1 METHOD FOR PREPARING A BENZYLIC-TYPE ETHER RHODIA CHIMIE (FR) 2001-10-10 EP claimed
CN-1267277-A Method for etherifying benzyl alcohol, resulting products and applications RHODIA CHIMIE SA (FR) 2000-09-20 CN claimed
WO-2000040535-A1 METHOD FOR PREPARING A BENZYLIC-TYPE ETHER RHODIA CHIMIE (FR) 2000-07-13 WO claimed
EP-0994838-A1 METHOD FOR ETHERIFYING A BENZYL ALCOHOL, RESULTING PRODUCTS AND APPLICATIONS RHODIA CHIMIE (FR) 2000-04-26 EP claimed
WO-1999002475-A1 METHOD FOR ETHERIFYING A BENZYL ALCOHOL, RESULTING PRODUCTS AND APPLICATIONS RHODIA CHIMIE (FR) 1999-01-21 WO claimed
WO-2019111225-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS AVALIV THERAPEUTICS (US) 2019-06-13 WO disclosed
EP-1776011-B1 FUNGICIDAL COMPOSITION CONTAINING AN ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA (JP) 2012-03-21 EP disclosed
US-8039420-B2 Fungicidal composition containing acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-10-18 US disclosed
US-7829501-B2 Fungicidal composition containing acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-11-09 US disclosed
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-14 US disclosed
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-14 US disclosed
WO-1999002475-A1 METHOD FOR ETHERIFYING A BENZYL ALCOHOL, RESULTING PRODUCTS AND APPLICATIONS RHODIA CHIMIE (FR) 1999-01-21 WO disclosed
WO-1998022417-A1 PROCESS FOR THE PREPARATION OF BENZYL-ETHERS BY USE OF PHASE TRANSFER Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1998-05-28 WO disclosed
WO-1998022416-A1 PROCESS FOR THE PREPARATION OF BENZYL-ETHERS AGRO-CHEMIE NÖVÉNYVÉDÖSZER GYÁRTÓ ÉRTÉKESITÓ ÉS FORGALMAZÓ KFT. (HU) 1998-05-28 WO disclosed
EP-0165322-B1 METHOD FOR THE PREPARATION OF PHENYLACETONITRILE SUBSTITUTED BY A BASIC RADICAL LUDWIG HEUMANN & CO GMBH (DE) 1988-01-20 EP disclosed
US-4697035-A Process for the preparation of basically substituted phenylacetonitriles LUDWIG HEUMANN & CO., GMBH (DE) 1987-09-29 US disclosed
EP-0165322-A1 Method for the preparation of phenylacetonitrile substituted by a basic radical LUDWIG HEUMANN & CO GMBH (DE) 1985-12-27 EP 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 (2 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-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 PPARG 776/4885PPARD 1377/4885PPARA 833/4885
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 PPARG 776/4885PPARD 1377/4885PPARA 833/4885

“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.