SCHEMBL90067

SCHEMBL90067

CCCCCOc1ccc(OC(C)C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
PLA2G4B P0C869 4/20 0.58
PPARG P37231 2/20 0.56
PPARA Q07869 1/20 0.56
RARB P10826 3/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.54
GAA P10253 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
CYP2C19 P33261 1/20 0.54
NR5A1 Q13285 1/20 0.53
PLA2G4A P47712 1/20 0.52

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
SCHEMBL8881964 0.95 RARB (0.62) TP53TSHRPLA2G4BPPARGPPARA
SCHEMBL31644492 0.88 PPARA (0.49) TP53TSHRPLA2G4BPPARGPPARA
SCHEMBL11583896 0.87 MMP9 (0.58) TP53TSHRPLA2G4BPPARGRARB
SCHEMBL10644244 0.87 THRA (0.49) TP53TSHRPLA2G4BPPARGPPARA
SCHEMBL10454911 0.85 RARB (0.61) TP53TSHRPLA2G4BPPARGPPARA
SCHEMBL10454910 0.85 RARB (0.61) TP53TSHRPLA2G4BPPARGPPARA
SCHEMBL17479436 0.83 L3MBTL1 (0.60) TP53TSHRPLA2G4BPPARGPPARA
SCHEMBL10518787 0.83 TP53 (0.55) TP53TSHRPLA2G4BRARBLMNA
SCHEMBL5600220 0.83 CYP2C9 (0.61) PLA2G4BPPARGPPARALMNACYP1A2
SCHEMBL5727625 0.82 CYP1A2 (0.56) PPARGPPARALMNACYP1A2GAA

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
EP-2427049-B1 SURFACTANTS IN AGROCHEMICAL FORMULATIONS CRODA INC (US) 2020-03-18 EP disclosed
EP-1824955-B1 SURFACTANT COMPOUNDS CRODA INT PLC (GB) 2016-03-16 EP disclosed
US-8673816-B2 Surfactants in agrochemical formulations CRODA, INC. (US) 2014-03-18 US disclosed
US-8603959-B2 Surfactant compounds CRODA INTERNATIONAL PLC (GB) 2013-12-10 US disclosed
CN-103403165-A Plants having increased resistance or sensitivity to 4-HPPD inhibitors SDS BIOTECH CORP 2013-11-20 CN disclosed
EP-2427049-A1 SURFACTANTS IN AGROCHEMICAL FORMULATIONS Croda, Inc. (US) 2012-03-14 EP disclosed
US-8129324-B2 2012-03-06 US disclosed
US-20120040834-A1 Surfactants in Agrochemical Formulations CRODA INTERNATIONAL PLC (GB) 2012-02-16 US disclosed
US-8097564-B2 Surfactant compounds CRODA INTERNATIONAL PLC (GB) 2012-01-17 US disclosed
US-20100331191-A1 SURFACTANT COMPOUNDS CRODA INTERNATIONAL PLC (GB) 2010-12-30 US disclosed
US-6864217-B2 Herbicidal compositions with substituted phenylsulfonylureas for controlling weeds in rice HOECHST SCHERING AGREVO GMBH (DE) 2005-03-08 US disclosed
US-20030191025-A1 Herbicidal compositions with substituted phenylsulfonylureas for controlling weeds in rice BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-10-09 US disclosed
US-5990047-A SYNERGISTIC MIXTURE WITH ONE OR MORE HERBICIDES WHICH ACTS SELECTIVELY IN CEREALS AND/OR MAIZE AGAINST: GRASSES; DICOTS; GRASSES AND DICOTS; OR GRASSES AND BROADLEAF WEEDS IN TRANSGENIC CROPS; OR WHICH ACTS NON-SELECTIVELY IN NONCROPS HOECHST SCHERING AGREVO GMBH (DE) 1999-11-23 US disclosed
EP-0716073-B1 Process for safening herbicides in cereal crops using 5-aryloxy-1,2-(disubstituted) benzene compounds AMERICAN CYANAMID CO (US) 1999-03-31 EP disclosed
US-5596124-A FOR USE WITH CEREAL CROPS AMERICAN CYANAMID COMPANY (US) 1997-01-21 US disclosed
EP-0716073-A1 Process for safening herbicides in cereal crops using 5-aryloxy-1,2-(disubstituted) benzene compounds American Cyanamid Company (US) 1996-06-12 EP disclosed
EP-0350038-A2 Enrichment of optical purity of 2-(4-aryloxyphenoxy) propionic acids by crystallization as hydrates DOWELANCO (US) 1990-01-10 EP disclosed
WO-1989012043-A1 AN IMPROVED PROCESS FOR THE MINIMIZATION OF RACEMIZATION IN THE PREPARATION OF OPTICALLY ACTIVE [(ARYLOXY)PHENOXY]PROPIONATE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1989-12-14 WO disclosed
EP-0344746-A2 An improved process for the minimization of racemization in the preparation of optically active ((aryloxy) phenoxy) propionate herbicides DOWELANCO (US) 1989-12-06 EP disclosed
EP-0061459-B1 PROCESS FOR THE SYNTHESIS OF PHENOXYALKANE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1986-10-29 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-20120040834-A1 Surfactants in Agrochemical Formulations HACL2, ALK, AGPS TP53 916/4885TSHR 3808/4885PLA2G4B 452/4885
US-20030191025-A1 Herbicidal compositions with substituted phenylsulfonylureas for controlling weeds in rice DDT, CYCS, CBR3 TP53 4633/4885TSHR 2847/4885PLA2G4B 2579/4885

“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.