SCHEMBL2975890

SCHEMBL2975890

[CH2]CN(C(C)CC)C(C)CC

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL4281067 0.88 MEN1 (0.32)
SCHEMBL11502080 0.75
SCHEMBL372741 0.73 TSHR (0.33) TSHR
SCHEMBL2977435 0.73
SCHEMBL7539397 0.71 TSHR (0.32) TSHR
SCHEMBL2973640 0.71
SCHEMBL96427 0.69
SCHEMBL8185435 0.69
SCHEMBL2961454 0.69 FDPS (0.34)
SCHEMBL2479168 0.69 TSHR (0.30) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-09-07 US disclosed
US-20200267985-A1 ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2020-08-27 US disclosed
US-9045465-B1 3-heterocyclyl-substituted benzoyl derivatives BASF SE (DE) 2015-06-02 US disclosed
US-7767624-B2 3-Heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 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
US-7151075-B2 3-(4,5-Dihydroisoxazole-5-yl)benzoylpyrazole BASF AKTIENGESELLSCHAFT (DE) 2006-12-19 US disclosed
EP-1527052-B1 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES BASF AG (DE) 2006-05-31 EP disclosed
US-20050239655-A1 3-heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2005-10-27 US disclosed
WO-2001046182-A1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLPYRAZOLE BASF AKTIENGESELLSCHAFT (DE) 2001-06-28 WO disclosed
WO-2001044204-A1 PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-06-21 WO disclosed
US-6232470-B1 AGRICULTURE BASF AKTIENGESELLSCHAFT (DE) 2001-05-15 US disclosed
US-6197973-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
WO-2001012625-A2 SUBSTITUTED BENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2001-02-22 WO disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
EP-0958291-A1 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
WO-1998031681-A1 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 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 (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-20200267985-A1 ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT HAX1, CYP4X1, CANX TSHR 1938/4885
US-20050239655-A1 3-heterocyclyl substituted benzoic acid derivatives DDT, CBR3, BROX TSHR 1294/4885
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HAX1, CYP4X1, CANX TSHR 1938/4885
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 TSHR 138/4885

“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.