SCHEMBL571882

SCHEMBL571882

O=C1C(=O)N(CCl)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 9/20 0.71
BCHE P06276 3/20 0.71
TGM2 P21980 1/20 0.71
ALDH1A1 P00352 5/20 0.68
ALDH3A1 P30838 5/20 0.68
ALDH2 P05091 4/20 0.68
CHRM1 P11229 2/20 0.68
ACHE P22303 1/20 0.64
CES2 O00748 1/20 0.62
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
CHRM5 P08912 1/20 0.60
CHRM3 P20309 1/20 0.60
PARK7 Q99497 1/20 0.59
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CDC25A P30304 1/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL7824511 0.85 CES1 (0.79) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL19924204 0.83 CES1 (1.00) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL18288159 0.82 CES1 (0.90) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL2149622 0.82 CES1 (0.73) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL29506660 0.81 ALDH1A1 (1.00) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL2087729 0.81 ALDH1A1 (1.00) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL10977652 0.80 ALDH1A1 (0.71) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL25119569 0.80 CES1 (0.85) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL5114051 0.80 CES1 (0.71) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL1426402 0.80 CES1 (0.71) CES1BCHETGM2ALDH1A1ALDH3A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601048-A2 COMPOSITIONS AND METHODS FOR DETECTION OF SOILS ON FABRICS The Sun Products Corporation (US) 2013-06-12 EP disclosed
EP-1757933-B1 METHOD FOR THE DETERMINATION OF BODY ODOR KAO CORP (JP) 2013-01-09 EP disclosed
US-20120196375-A1 Compositions and Methods for Detection of Soils on Fabrics THE SUN PRODUCTS CORPORATION (US) 2012-08-02 US disclosed
WO-2012019030-A2 COMPOSITIONS AND METHODS FOR DETECTION OF SOILS ON FABRICS THE SUN PRODUCTS CORPORATION (US) 2012-02-09 WO disclosed
US-7981686-B2 Indicator for assessing body odor, process for producing the same, body odor assessment method, method of assessing efficaciousness of deodorant and kit for conveniently assessing body odor KAO CORPORATION (JP) 2011-07-19 US disclosed
US-7858378-B2 Method for the determination of body odor KAO CORPORATION (JP) 2010-12-28 US disclosed
US-20100184122-A1 INDICATOR FOR ASSESSING BODY ODOR, PROCESS FOR PRODUCING THE SAME, BODY ODOR ASSESSMENT METHOD, METHOD OF ASSESSING EFFICACIOUSNESS OF DEODORANT AND KIT FOR CONVENIENTLY ASSESSING BODY ODOR KAO CORPORATION (JP) 2010-07-22 US disclosed
US-20100035355-A1 METHOD FOR THE DETERMINATION OF BODY ODOR KAO CORPORATION (JP) 2010-02-11 US disclosed
US-7608459-B2 Method for the determination of body odor KAO CORPORATION (JP) 2009-10-27 US disclosed
US-20080014649-A1 Method for the Determination of Body Odor KAO CORPORATION (JP) 2008-01-17 US disclosed
EP-1757933-A1 METHOD FOR THE DETERMINATION OF BODY ODOR Kao Corporation (JP) 2007-02-28 EP disclosed
US-20060160240-A1 Indicator for assessing body odor, process for producing the same, body odor assessment method, method of assessing efficaciousness of deodorant and kit for conveniently assessing body odor KAO CORPORATION (JP) 2006-07-20 US disclosed
EP-1553411-A1 INDICATOR FOR ASSESSING BODY ODOR, PROCESS FOR PRODUCING THE SAME, BODY ODOR ASSESSMENT METHOD, METHOD OF ASSESSING EFFICACIOUSNESS OF DEODORANT AND KIT FOR CONVENIENTLY ASSESING BODY ODOR Kao Corporation (JP) 2005-07-13 EP disclosed
US-4845020-A ANTIFOGGANT, SENSITIVITY FUJI PHOTO FILM CO., LTD. (JP) 1989-07-04 US 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-20100035355-A1 METHOD FOR THE DETERMINATION OF BODY ODOR OR10J3, OR51E2, DRD4 CES1 1095/4885BCHE 323/4885TGM2 2435/4885
US-20080014649-A1 Method for the Determination of Body Odor OR10J3, OR51E2, DRD4 CES1 1095/4885BCHE 323/4885TGM2 2435/4885

“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.