SCHEMBL873123

SCHEMBL873123

CC=C(C)C(=O)OCCC(C)CC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
FAAH O00519 1/20 0.33
THRB P10828 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNB2 P17787 3/20 0.31
CHRNA4 P43681 3/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
TSHR P16473 2/20 0.31
MAPT P10636 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
SCHEMBL873122 1.00 ALOX15 (0.42) ALOX15FAAHTHRBCYP2D6CYP2C19
SCHEMBL154617 0.84 ALOX15 (0.45) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3507005 0.82 CYP19A1 (0.41) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL872903 0.82 CYP19A1 (0.41) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL872902 0.82 CYP19A1 (0.41) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10605323 0.81 MAPT (0.42) ALOX15FAAHTSHRMAPT
SCHEMBL10605319 0.81 MAPT (0.42) ALOX15FAAHTSHRMAPT
SCHEMBL3292506 0.81 ALOX15 (0.37) ALOX15FAAHCYP2D6CYP2C19CHRNB2
SCHEMBL3292504 0.81 ALOX15 (0.37) ALOX15FAAHCYP2D6CYP2C19CHRNB2
SCHEMBL873826 0.80 ALOX15 (0.71) ALOX15CYP2D6CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10006151-B2 Polyurethane fiber TORAY OPELONTEX CO., LTD. (JP) 2018-06-26 US disclosed
EP-2947185-B1 POLYURETHANE FIBER AND ITS USE TORAY OPELONTEX CO LTD (JP) 2018-02-28 EP disclosed
US-9358191-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-07 US disclosed
US-20160002827-A1 POLYURETHANE FIBER TORAY OPELONTEX CO., LTD. (JP) 2016-01-07 US disclosed
EP-2947185-A1 POLYURETHANE FIBER Toray Opelontex Co., Ltd (JP) 2015-11-25 EP disclosed
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
US-20140271522-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-09-18 US disclosed
US-8778320-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-07-15 US disclosed
EP-1561476-B1 DEODORANT COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2014-02-12 EP disclosed
EP-2618856-A1 DEODORANT COMPOSITION FOR SULFIDES Takasago International Corporation (JP) 2013-07-31 EP disclosed
US-20130136713-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-30 US disclosed
WO-2012039516-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-29 WO disclosed
US-20090087401-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-04-02 US disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 US disclosed
EP-1827370-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR Showa Denko K.K. (JP) 2007-09-05 EP disclosed
US-20060165622-A1 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-27 US disclosed
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 WO disclosed
EP-1561476-A1 DEODORANT COMPOSITION Takasago International Corporation (JP) 2005-08-10 EP 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-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; TST, CYSLTR1, CYSLTR2 ALOX15 218/4885FAAH 787/4885THRB 846/4885

“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.