SCHEMBL3548341

SCHEMBL3548341

C1CCC(CCCC2CCC3OC3C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
SIGMAR1 Q99720 3/20 0.41
CEL P19835 2/20 0.35
SLC18A3 Q16572 1/20 0.34
EPHX1 P07099 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NAAA Q02083 3/20 0.33
OPRK1 P41145 1/20 0.32
HPGD P15428 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
SCHEMBL3550788 0.96 SIGMAR1 (0.45) CYP1A2SIGMAR1CELEPHX1HRH3
SCHEMBL3547848 0.94 SIGMAR1 (0.48) CYP1A2SIGMAR1CELEPHX1NAAA
SCHEMBL3546443 0.94 SIGMAR1 (0.48) CYP1A2SIGMAR1CELEPHX1NAAA
SCHEMBL3551008 0.92 CYP1A2 (0.37) CYP1A2SIGMAR1EPHX1HPGD
SCHEMBL10771045 0.89 PTGS1 (0.33)
SCHEMBL20139422 0.87 PTGS1 (0.35)
SCHEMBL21219899 0.85 PTGS1 (0.33)
SCHEMBL3545481 0.82 PTGS1 (0.36) SLC18A3
SCHEMBL5703992 0.80 PTGS1 (0.37)
SCHEMBL1904180 0.79 CHRM5 (0.32)

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 CYP1A2 434/4885SIGMAR1 3854/4885CEL 1799/4885

“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.