SCHEMBL873393

SCHEMBL873393

CC(=O)CC(C)(C)C1=CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CTSK P43235 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RAB9A P51151 1/20 0.33
GSTP1 P09211 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2222652 0.79 HDAC4 (0.37) ALDH1A1CTSKHDAC4HDAC2HDAC8
SCHEMBL10439055 0.77 ALDH1A1 (0.34) ALDH1A1CTSKHDAC4HDAC2HDAC8
SCHEMBL3100734 0.74 HDAC4 (0.36) ALDH1A1CTSKHDAC4HDAC2HDAC8
SCHEMBL11083122 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4196065 0.73 HDAC4 (0.35) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL9458910 0.72 HDAC4 (0.37) ALDH1A1CTSKHDAC4HDAC2HDAC8
SCHEMBL15975034 0.72 HDAC4 (0.37) ALDH1A1CTSKHDAC4HDAC2HDAC8
SCHEMBL3149225 0.70 ALDH1A1 (0.33) ALDH1A1CTSKHDAC4HDAC2HDAC8
SCHEMBL3145823 0.70 ALDH1A1 (0.33) ALDH1A1CTSKHDAC4HDAC2HDAC8
SCHEMBL28758375 0.70 ALDH1A1 (0.33) ALDH1A1CTSKHDAC4HDAC2HDAC8

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
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
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 ALDH1A1 672/4885CTSK 3711/4885HDAC4 1387/4885

“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.