SCHEMBL272161

SCHEMBL272161

CCCCCCCC1CCCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
CYP1A2 P05177 4/20 0.45
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 2/20 0.41
LMNA P02545 1/20 0.38

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
SCHEMBL487405 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9319422 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4441775 0.98 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4324112 0.98 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL486850 0.98 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL25190402 0.98 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9158941 0.98 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL13725781 0.98 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4740933 0.98 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL31619444 0.98 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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 20 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-8133856-B2 Cis-3,3,5-trimethylcyclohexyl esters SYMRISE AG (DE) 2012-03-13 US disclosed
EP-1648526-B1 CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS SYMRISE GMBH & CO KG (DE) 2009-09-09 EP 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-20060211597-A1 Cis-3,3,5-trimethylcyclohexyl esters SYMRISE AG (DE) 2006-09-21 US 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-1648526-A1 CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS Symrise GmbH & Co. KG (DE) 2006-04-26 EP disclosed
EP-1561476-A1 DEODORANT COMPOSITION Takasago International Corporation (JP) 2005-08-10 EP disclosed
WO-2005009492-A1 CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS SYMRISE GMBH & CO. KG (DE) 2005-02-03 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-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 NPC1 3397/4885RAB9A 4801/4885SMN1; SMN2 4800/4885

“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.