SCHEMBL1786816

SCHEMBL1786816

CC(=O)CC(C)CCCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.54
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.52
PTPN1 P18031 3/20 0.43
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 2/20 0.36
KDM4C Q9H3R0 2/20 0.35
KDM4A O75164 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM1A O60341 1/20 0.34
PTPN2 P17706 1/20 0.33
CDC25B P30305 1/20 0.33

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
SCHEMBL17249627 0.98 BLM (0.57) BLMALDH1A1TDP1LMNAPTPN1
SCHEMBL15202976 0.98 BLM (0.57) BLMALDH1A1TDP1LMNAPTPN1
SCHEMBL12713322 0.98 BLM (0.57) BLMALDH1A1TDP1LMNAPTPN1
SCHEMBL1785246 0.85 ALDH1A1 (0.57) BLMALDH1A1TDP1LMNAPTPN1
SCHEMBL11760483 0.84 ALDH1A1 (0.44) BLMALDH1A1TDP1LMNAPTPN1
SCHEMBL7215285 0.84 ALDH1A1 (0.44) BLMALDH1A1TDP1LMNAPTPN1
SCHEMBL6271680 0.83 BLM (0.56) BLMALDH1A1TDP1LMNAPTPN1
SCHEMBL11762046 0.82 ALDH1A1 (0.42) BLMALDH1A1TDP1LMNAPTPN1
SCHEMBL29087292 0.81 BLM (0.50) BLMALDH1A1TDP1LMNAPTPN1
SCHEMBL13176558 0.81 ALDH1A1 (0.46) BLMALDH1A1TDP1LMNAPTPN1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166857-A1 4,8-Dimethyl-7-nonen-2-one and 4,8-dimethylnonan-2-one used as perfumes SYMRISE GMBH & CO. KG (DE) 2006-07-27 US claimed
EP-1682230-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES Symrise GmbH & Co. KG (DE) 2006-07-26 EP claimed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO claimed
US-9975837-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2018-05-22 US disclosed
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2018-03-01 US disclosed
EP-2139835-B1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2017-05-10 EP disclosed
WO-2016097242-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2016-06-23 WO disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-7973198-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2011-07-05 US disclosed
US-7973198-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2011-07-05 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2006003053-A1 USE OF 3-MERCAPTO-3-METHYL-HEXAN-1-OL FUR USE AS MALODOR STANDARD SYMRISE GMBH & CO. KG (DE) 2006-01-12 WO disclosed
EP-1162191-B1 (1S,6R)- And/or (1R,6S)-2,2,6-trimethylcyclohexyl methyl ketone, process for producing the same, and perfume composition containing the same TAKASAGO PERFUMERY CO LTD (JP) 2005-06-29 EP disclosed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO disclosed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO disclosed
EP-1468978-A1 Process for producing (1S,6R)-2,2,6-trimethylcyclohexyl methyl ketone and/or (1R,6S)-2,2,6-trimethylcyclohexyl methyl ketone Takasago International Corporation (JP) 2004-10-20 EP disclosed
US-6770618-B2 ORGANOLEPTIC; PLANT EXTRACTS; MIXTURES TAKASAGO INTERNATIONAL CORP. (JP) 2004-08-03 US disclosed
US-20020042356-A1 (1S,6R)-2,2,6-Trimethylcyclohexyl methyl ketone and/or (1R,6S)-2,2,6-trimethylcyclohexyl methyl ketone, process for producing the same, and perfume composition containing the same TAKASAGO INTERNATIONAL CORP. (JP) 2002-04-11 US disclosed
EP-1162191-A2 (1S,6R)- And/or (1R,6S)-2,2,6-trimethylcyclohexyl methyl ketone, process for producing the same, and perfume composition containing the same Takasago International Corporation (JP) 2001-12-12 EP disclosed
US-4021461-A INSECTICIDES ZOECON CORPORATION (US) 1977-05-03 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 (3 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 BLM 4418/4885ALDH1A1 520/4885TDP1 3995/4885
US-20020042356-A1 (1S,6R)-2,2,6-Trimethylcyclohexyl methyl ketone and/or (1R,6S)-2,2,6-trimethylcyclohexyl methyl ketone, process for producing the same, and perfume composition containing the same MINK1, TEKT1, TMT1A BLM 4866/4885ALDH1A1 1508/4885TDP1 4417/4885
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS CBR3, CBR1, HRH4 BLM 4588/4885ALDH1A1 653/4885TDP1 4453/4885

“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.