SCHEMBL1685646

SCHEMBL1685646

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
TTR P02766 1/20 0.35
BTN3A1 O00481 1/20 0.34
TRPV1 Q8NER1 2/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 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
SCHEMBL1685656 0.80 BTN3A1 (0.44) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL6244415 0.78 ALOX15 (0.41) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL955895 0.75
SCHEMBL6232511 0.74 ALDH1A1 (0.33) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL113776 0.74
SCHEMBL1871028 0.74 ALDH1A1 (0.65) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL6913629 0.74 ALDH1A1 (0.48) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL7094910 0.73 CYP3A4 (0.41) ALDH1A1
SCHEMBL27752278 0.73 ALOX15 (0.44) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL30303220 0.72 ALDH1A1 (0.37) ALOX15ALDH1A1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-0968170-A1 METHODS FOR PREPARING PRENYL ALCOHOL LOYOLA UNIVERSITY OF CHICAGO (US) 2000-01-05 EP disclosed
US-5872277-A Methods for preparing prenyl alcohol LOYOLA UNIVERSITY OF CHICAGO (US) 1999-02-16 US disclosed
WO-1998040345-A1 METHODS FOR PREPARING PRENYL ALCOHOL LOYOLA UNIVERSITY OF CHICAGO (US) 1998-09-17 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-20100168463-A1 METHOD OF PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE CYP1B1, HACL2, CMA1 ALOX15 650/4885ALDH1A1 147/4885MMP1 176/4885

“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.