SCHEMBL873103

SCHEMBL873103

CCOC(C)OCCC(C)CCC=C(C)C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.57
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.43
NFE2L2 Q16236 1/20 0.42
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.37
GGPS1 O95749 2/20 0.35
FDPS P14324 2/20 0.35
EPHX2 P34913 1/20 0.34
GLA P06280 1/20 0.32

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
SCHEMBL27200268 0.93 ALOX15 (0.65) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL872808 0.86 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL3152826 0.83 ALOX15 (0.62) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL16902070 0.83 ALOX15 (0.62) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL17955365 0.83 ALOX15 (0.62) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL17955363 0.83 ALOX15 (0.62) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL872688 0.81 ALOX15 (0.61) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL1292971 0.80 ALOX15 (0.59) ALOX15ALDH1A1NFE2L2USP2TDP1
Citronellal SCHEMBL726176 0.79 ALOX15 (0.46) ALOX15ALDH1A1LMNANFE2L2USP2
SCHEMBL8397532 0.79 ALOX15 (0.67) ALOX15ALDH1A1NFE2L2USP2TDP1

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-9358191-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-07 US 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
CN-103189076-A Deodorant composition for sulfides TAKASAGO PERFUMERY CO LTD 2013-07-03 CN 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
CN-101292942-A Dermatologic preparation composition containing gamma-oryzanol KOWA CO (JP) 2008-10-29 CN 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
CN-100376292-C Deodorant composition TAKASAGO PERFUMERY CO LTD (JP) 2008-03-26 CN 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
CN-1732019-A Deodorant composition TAKASAGO PERFUMERY CO LTD (JP) 2006-02-08 CN 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 218/4885ALDH1A1 672/4885LMNA 4594/4885

“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.