SCHEMBL2960092

SCHEMBL2960092

[CH2]C(CC)C(=O)OC(C)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.37
FAAH O00519 1/20 0.37
ALDH1A1 P00352 3/20 0.35
TSHR P16473 4/20 0.33
LMNA P02545 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C9 P11712 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
TBXA2R P21731 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL128278 0.84 TSHR (0.40) ALOX15FAAHALDH1A1TSHRLMNA
SCHEMBL2976565 0.84 MAPT (0.41) MAPTFAAHALDH1A1TSHRLMNA
SCHEMBL779893 0.78 MAPT (0.43) MAPTFAAHALDH1A1TSHRLMNA
SCHEMBL1216964 0.78 MAPT (0.43) MAPTFAAHALDH1A1TSHRLMNA
SCHEMBL2980611 0.78 MAPT (0.43) MAPTFAAHALDH1A1TSHRLMNA
SCHEMBL7223633 0.76 MAPT (0.42) MAPTFAAHALDH1A1TSHRLMNA
SCHEMBL2978632 0.76 MAPT (0.42) MAPTFAAHALDH1A1TSHRLMNA
Magnesium SCHEMBL29456102 0.76 MAPT (0.42) MAPTFAAHALDH1A1TSHRLMNA
SCHEMBL702238 0.76 MAPT (0.42) MAPTFAAHALDH1A1TSHRCHRM2
SCHEMBL4439936 0.76 MAPT (0.42) MAPTFAAHALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045465-B1 3-heterocyclyl-substituted benzoyl derivatives BASF SE (DE) 2015-06-02 US disclosed
EP-1613607-B1 BENZENESULPHONAMIDE DERIVATIVES AS HERBICIDES OR DESICCANT/DEFOLIANT COMPOUNDS BASF SE (DE) 2013-01-09 EP disclosed
US-7767624-B2 3-Heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-7741485-B2 Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds BASF AKTIENGESELLSCHAFT (DE) 2010-06-22 US disclosed
US-7608564-B2 3-heterocyclyl-substituted benzoyl derivatives BASF AKTIENGESELLSCHAFT (DE) 2009-10-27 US disclosed
US-20080039327-A1 Herbicide; in crops such as wheat, rice, maize, soybeans and cotton they act against broad-leaved weeds and grass weeds without damaging the crop plants; compounds are based on 3-(5,5-disubstituted 2-isoxazolin-3-yl)benzoic acid, esters, thioesters and pyrazolyl ketones thereof DEYN WOLFGANG V 2008-02-14 US disclosed
US-7232792-B2 3-heterocyclyl-substituted benzoyl derivatives BASF AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
EP-0958292-B1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AG (DE) 2007-01-03 EP disclosed
US-7151075-B2 3-(4,5-Dihydroisoxazole-5-yl)benzoylpyrazole BASF AKTIENGESELLSCHAFT (DE) 2006-12-19 US disclosed
US-20060211577-A1 Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds BASF AKTIENGESELLSCHAFT (DE) 2006-09-21 US disclosed
WO-1998031681-A1 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
EP-0851858-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-08 EP disclosed
WO-1998027090-A2 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
WO-1998020000-A2 SUBSTITUTED 3-BENZYLPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-05-14 WO disclosed
WO-1998012182-A1 1-SULFONYL-3-PHENYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING OR DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed
WO-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
WO-1998007700-A1 SUBSTITUTED 2-PHENYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
WO-1997015559-A1 SUBSTITUTED 4,5-DI(TRIFLUOROMETHYL)PYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING/DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed
WO-1997011059-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 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 (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-20060211577-A1 Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds CBR3, CBR1, CNPY2 MAPT 4819/4885ALOX15 3594/4885FAAH 1703/4885
US-20080039327-A1 Herbicide; in crops such as wheat, rice, maize, soybeans and cotton they act against broad-leaved weeds and grass weeds without damaging the crop plants; compounds are based on 3-(5,5-disubstituted 2-isoxazolin-3-yl)benzoic acid, esters, thioesters and pyrazolyl ketones thereof CBR3, CBR1, GLRX3 MAPT 4606/4885ALOX15 685/4885FAAH 1510/4885

“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.