SCHEMBL1685656

SCHEMBL1685656

CC(C)=CCOC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 6/20 0.44
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
PRKCA P17252 2/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
TTR P02766 1/20 0.36
TK1 P04183 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
CHRM1 P11229 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL16072561 0.82 ALDH1A1 (0.67) ALDH1A1ALOX15FNTAFNTBTRPV1
SCHEMBL11410853 0.82 ALDH1A1 (0.67) ALDH1A1ALOX15FNTAFNTBTRPV1
SCHEMBL1685646 0.80 ALOX15 (0.41) BTN3A1ALDH1A1ALOX15MMP1MMP2
SCHEMBL6244415 0.80 ALOX15 (0.41) BTN3A1ALDH1A1ALOX15MMP1MMP2
SCHEMBL28123694 0.79 BTN3A1 (0.39) BTN3A1ALDH1A1ALOX15PRKCAFNTA
SCHEMBL13686652 0.78 BTN3A1 (0.49) BTN3A1ALDH1A1ALOX15PRKCAFNTA
SCHEMBL30542157 0.78 TK1 (0.49) BTN3A1ALDH1A1PRKCATK1POLB
SCHEMBL21518275 0.78 ALDH1A1 (0.44) BTN3A1ALDH1A1ALOX15FNTAFNTB
SCHEMBL21518292 0.78 ALDH1A1 (0.44) BTN3A1ALDH1A1ALOX15FNTAFNTB
SCHEMBL5007600 0.76 PRKCA (0.41) BTN3A1ALDH1A1PRKCATK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585569-A1 PERFUME SYSTEMS The Procter and Gamble Company (US) 2013-05-01 EP claimed
WO-2011163337-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2011-12-29 WO claimed
US-20110308555-A1 PERFUME SYSTEMS PROCTER & GAMBLE COMPANY, THE 2011-12-22 US claimed
EP-3085759-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2018-02-07 EP disclosed
EP-3085759-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2018-02-07 EP disclosed
EP-3085759-A2 PERFUME SYSTEMS The Procter and Gamble Company (US) 2016-10-26 EP disclosed
EP-3085759-A2 PERFUME SYSTEMS The Procter and Gamble Company (US) 2016-10-26 EP disclosed
EP-2585569-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-08-24 EP disclosed
US-8609603-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-12-17 US disclosed
EP-1950208-B1 PROCESS FOR PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE SUMITOMO CHEMICAL CO (JP) 2012-05-02 EP disclosed
US-20110308555-A1 PERFUME SYSTEMS PROCTER & GAMBLE COMPANY, THE 2011-12-22 US disclosed
US-20110308555-A1 PERFUME SYSTEMS PROCTER & GAMBLE COMPANY, THE 2011-12-22 US disclosed
US-20110308555-A1 PERFUME SYSTEMS PROCTER & GAMBLE COMPANY, THE 2011-12-22 US disclosed
US-7928253-B2 Method of producing 6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-19 US disclosed
US-20100168463-A1 METHOD OF PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-01 US disclosed
EP-1950208-A1 PROCESS FOR PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE Sumitomo Chemical Company, Limited (JP) 2008-07-30 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 (2 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-20110308555-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 BTN3A1 4516/4885ALDH1A1 1292/4885ALOX15 599/4885
US-20100168463-A1 METHOD OF PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE CYP1B1, HACL2, CMA1 BTN3A1 3475/4885ALDH1A1 147/4885ALOX15 650/4885

“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.