SCHEMBL571709

SCHEMBL571709

O=C(O)Oc1ccccc1Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.55
GAA P10253 3/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
HTT P42858 2/20 0.50
TSPO P30536 1/20 0.49
TTR P02766 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADRA2C P18825 1/20 0.46
TSHR P16473 2/20 0.46
LTA4H P09960 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.44
PARP10 Q53GL7 1/20 0.44
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL16319105 0.92 CTNNB1 (0.47) CTNNB1GAALMNAKMT2AHTT
Butane SCHEMBL6289475 0.91 CTNNB1 (0.51) CTNNB1GAALMNAKMT2AHTT
SCHEMBL16319433 0.89 HTT (0.48) CTNNB1GAALMNAKMT2AHTT
SCHEMBL11881421 0.87 CTNNB1 (0.55) CTNNB1GAALMNAKMT2AHTT
SCHEMBL4619100 0.87 KMT2A (0.46) CTNNB1GAALMNAKMT2AHTT
SCHEMBL143632 0.86 KDM4E (0.46) CTNNB1LMNAKMT2ATDP1TSHR
SCHEMBL4860352 0.86 CTNNB1 (0.50) CTNNB1GAALMNAKMT2AHTT
SCHEMBL6690457 0.83 KDM4E (0.58) CTNNB1GAALMNAKMT2AHTT
SCHEMBL9629071 0.83 CTNNB1 (0.61) CTNNB1GAALMNAKMT2AHTT
SCHEMBL7534127 0.83 CTNNB1 (0.52) CTNNB1GAALMNAKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190178-A1 Pesticidal Treatment Compositions GOWAN COMERCIO INTEMACIONAL E SERVICOS LIMITADA (PT) 2013-07-25 US claimed
US-20070054806-A1 Novel sulfonamide-comprising solid formulations BAYER CROPSCIENCE GMBH (DE) 2007-03-08 US claimed
US-20070054805-A1 Novel sulfonamide-comprising solid formulations BAYER CROPSCIENCE GMBH (DE) 2007-03-08 US claimed
EP-0582198-B1 Substituted (hetero-)aryle compounds, process for their preparation, those containing compositions and their use as safeners BAYER CROPSCIENCE GMBH (DE) 2006-02-08 EP claimed
US-20040110637-A1 Method of safening crops using isoxazoline carboxylates BAYER CROPSCIENCE GMBH (DE) 2004-06-10 US claimed
US-6667276-B1 Microemulsions of glufosinate and oxyfluorfen or glyphosate and oxyfluorfen herbicides; cosurfactants and one or more acidic phosphoric ester surfactants HOECHST SCHERING AGREVO GMBH (DE) 2003-12-23 US claimed
EP-1365648-A1 METHOD OF SAFENING CROPS USING ISOXAZOLINE CARBOXYLATES Bayer CropScience GmbH (DE) 2003-12-03 EP claimed
WO-2002060256-A1 METHOD OF SAFENING CROPS USING ISOXAZOLINE CARBOXYLATES BAYER CROPSCIENCE GMBH (DE) 2002-08-08 WO claimed
EP-0509433-B1 Plant protecting agents containing isoxazolines or isothiazolines, new isothiazolines and isoxazolines and process for their preparation AVENTIS CROPSCIENCE GMBH (DE) 2000-07-19 EP claimed
US-5756422-A PLANT SAFENING AGENTS HOECHST SCHERING AGREVO GMBH (DE) 1998-05-26 US claimed
US-5739079-A CEREAL, RICE, CORN CROP SAFENER MIXED WITH WEED HERBICIDE HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US claimed
US-5703008-A Pyrazolines for protecting crop plants against herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-30 US claimed
US-5700758-A APPLYING TO SAFEN PLANTS AGAINST PHOTOTOXICITY HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-23 US claimed
EP-0520371-B1 Isoxazolines and isothiazolines, plant-protecting agent containing them and method of analysis for the identification of potential plant-protecting agents HOECHST SCHERING AGREVO GMBH (DE) 1997-04-09 EP claimed
EP-0409118-B1 Pyrazolines and their use as antidotes HOECHST SCHERING AGREVO GMBH (DE) 1994-10-12 EP claimed
US-4925478-A PLANT SAFENING AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-15 US claimed
EP-0034120-B1 DERIVATIVES OF PHENOXY-PHENOXY-CARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1983-12-14 EP claimed
JP-5238985-A None JP disclosed
EP-0034120-A1 Derivatives of phenoxy-phenoxy-carboxylic acids CIBA-GEIGY AG (CH) 1981-08-19 EP disclosed
JP-S545935-A PHENOXYPHENOXYALKANECARBOXYLIC ACID DERIVATIVES AND HERBICIDES CONTAINING THE SAME ISHIHARA SANGYO KAISHA LTD 1979-01-17 JP 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 (4 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-20070054806-A1 Novel sulfonamide-comprising solid formulations SULT2A1, ARSA, SLC43A1 CTNNB1 4749/4885GAA 530/4885LMNA 4530/4885
US-20130190178-A1 Pesticidal Treatment Compositions DDT, CHIT1, CTRL CTNNB1 3050/4885GAA 3242/4885LMNA 4440/4885
US-20040110637-A1 Method of safening crops using isoxazoline carboxylates CYP2W1, CYP4Z1, CYP4X1 CTNNB1 3220/4885GAA 4289/4885LMNA 1866/4885
US-20070054805-A1 Novel sulfonamide-comprising solid formulations SULT2A1, ARSA, SLC43A1 CTNNB1 4638/4885GAA 365/4885LMNA 4389/4885

“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.