Sugi Predict

Sugi Predict / Compounds / SCHEMBL2966455

SCHEMBL2966455

SCHEMBL2966455

CCCC[CH]NC(C)CC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 1/20 0.38
▸ ADH1C P00326 1/20 0.38
▸ ADH1A P07327 1/20 0.38
▸ ADH4 P08319 1/20 0.38
▸ ADH7 P40394 1/20 0.38
▸ TSHR P16473 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL5267526 0.85 — —
SCHEMBL16670967 0.84 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2975404 0.80 — —
SCHEMBL22157500 0.76 — —
SCHEMBL14892315 0.76 — —
SCHEMBL2488178 0.76 — —
SCHEMBL3374213 0.74 — —
SCHEMBL5645202 0.73 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL16892573 0.71 TSHR (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11775350 0.71 TSHR (0.42) ADH1BADH1CADH1AADH4ADH7

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-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
EP-1527052-A1 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-05-04 — — EP disclosed
US-20050085516-A1 2-W-diaminocarboxylic acid compounds BASF AKTIENGESELLSCHAFT (DE) 2005-04-21 — — US disclosed
US-20020025910-A1 3-heterocycly1 - substituted benzoyl derivatives DEYN WOLFGANG VON (DE) 2002-02-28 — — US disclosed
WO-2001079182-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 — — WO disclosed
WO-2001079183-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 — — 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-0915853-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 — — EP disclosed
WO-1998038169-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-09-03 — — WO disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 — — 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-20050085516-A1 2-W-diaminocarboxylic acid compounds DDT, ANTXR2, MTX2 ADH1B 1032/4885ADH1C 511/4885ADH1A 649/4885
US-20050239655-A1 3-heterocyclyl substituted benzoic acid derivatives DDT, CBR3, BROX ADH1B 951/4885ADH1C 944/4885ADH1A 902/4885
US-20020025910-A1 3-heterocycly1 - substituted benzoyl derivatives CBR3, CBR1, RRS1 ADH1B 2384/4885ADH1C 1106/4885ADH1A 2292/4885
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 ADH1B 878/4885ADH1C 1422/4885ADH1A 2551/4885

“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.