SCHEMBL3547848

SCHEMBL3547848

C(CCCC1CCC2OC2C1)CCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
CYP1A2 P05177 1/20 0.42
NAAA Q02083 5/20 0.38
EPHX1 P07099 1/20 0.36
KDM5A P29375 2/20 0.34
PHF8 Q9UPP1 2/20 0.34
KDM2A Q9Y2K7 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM4A O75164 1/20 0.34
MAPT P10636 1/20 0.33
CEL P19835 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
SCHEMBL3546443 1.00 SIGMAR1 (0.48) SIGMAR1CYP1A2NAAAEPHX1KDM5A
SCHEMBL3550788 0.98 SIGMAR1 (0.45) SIGMAR1CYP1A2NAAAEPHX1MAPT
SCHEMBL3548341 0.94 CYP1A2 (0.43) SIGMAR1CYP1A2NAAAEPHX1CEL
SCHEMBL3551008 0.90 CYP1A2 (0.37) SIGMAR1CYP1A2EPHX1
SCHEMBL21219899 0.88 PTGS1 (0.33)
SCHEMBL10771045 0.83 PTGS1 (0.33)
SCHEMBL14032915 0.83 SIGMAR1 (0.31) SIGMAR1
SCHEMBL2733614 0.83 SIGMAR1 (0.31) SIGMAR1
SCHEMBL3540459 0.83 PTGS1 (0.36) SIGMAR1
SCHEMBL3546213 0.83 PTGS1 (0.36) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732627-B2 High-purity cycloaliphatic diepoxy compound and preparation process thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-08 US disclosed
US-20080045729-A1 High-Purity Cycloaliphatic Diepoxy Compound and Preparation Process Thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-02-21 US disclosed
EP-1834949-A1 HIGH-PURITY ALICYCLIC DIEPOXY COMPOUND AND PROCESS FOR PRODUCING THE SAME Daicel Chemical Industries, Ltd. (JP) 2007-09-19 EP disclosed
US-20070179256-A1 High-purity alicyclic epoxy compound, process for production of the same, curable epoxy resin composition, cured product thereof, and application thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-08-02 US disclosed
EP-1726588-A1 HIGH-PURITY ALICYCLIC EPOXY COMPOUND, PROCESS FOR PRODUCING THE SAME, CURABLE EPOXY RESIN COMPOSITION, CURED ARTICLE THEREOF, AND USE Daicel Chemical Industries, Ltd. (JP) 2006-11-29 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-20080045729-A1 High-Purity Cycloaliphatic Diepoxy Compound and Preparation Process Thereof DUOX2, SQLE, HPD SIGMAR1 3854/4885CYP1A2 434/4885NAAA 4278/4885

“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.