SCHEMBL2966460

SCHEMBL2966460

CCCCN(C)C(C)CC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.36
ALDH1A1 P00352 1/20 0.34
ALDH2 P05091 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
CA2 P00918 1/20 0.32
TSHR P16473 1/20 0.32
TRPM8 Q7Z2W7 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
SCHEMBL13452893 1.00 DNM1 (0.36) DNM1ALDH1A1ALDH2SIGMAR1CA12
SCHEMBL13078797 0.92 DNM1 (0.46) DNM1SIGMAR1CA12CA1CA9
SCHEMBL29324368 0.92 DNM1 (0.46) DNM1SIGMAR1CA12CA1CA9
SCHEMBL20033712 0.90 DNM1 (0.50) DNM1SIGMAR1CA12CA1CA9
SCHEMBL12710563 0.89 SIGMAR1 (0.36) SIGMAR1
SCHEMBL13452815 0.83
SCHEMBL2964347 0.83
SCHEMBL18902339 0.82 DNM1 (0.35) DNM1ALDH1A1ALDH2SIGMAR1
SCHEMBL22388655 0.82 DNM1 (0.35) DNM1ALDH1A1ALDH2SIGMAR1CA12
SCHEMBL11528947 0.82 DNM1 (0.35) DNM1ALDH1A1ALDH2SIGMAR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230333477-A1 METHOD OF MANUFACTURING A SEMICONDUCTOR DEVICE TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2023-10-19 US disclosed
CN-110650940-B Method for producing methacrolein 罗门哈斯公司 2023-02-17 CN disclosed
CN-110650940-A Method for preparing methacrolein 罗门哈斯公司 2020-01-03 CN disclosed
US-9811011-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-11-07 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-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP 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
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
WO-1998038169-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-09-03 WO disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP 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 (1 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-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 DNM1 4732/4885ALDH1A1 3343/4885ALDH2 2622/4885

“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.