SCHEMBL3549807

SCHEMBL3549807

C1=CCC(CCCC2CCCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
SIGMAR1 Q99720 4/20 0.42
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CEL P19835 2/20 0.36
MAPK1 P28482 1/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SLC18A3 Q16572 1/20 0.32
P2RX7 Q99572 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL3546001 0.96 SIGMAR1 (0.47) CYP1A2SIGMAR1KDM4ETDP1CEL
SCHEMBL3543149 0.94 SIGMAR1 (0.50) CYP1A2SIGMAR1KDM4ETDP1CEL
SCHEMBL3550474 0.94 SIGMAR1 (0.50) CYP1A2SIGMAR1KDM4ETDP1CEL
SCHEMBL1524646 0.91 KDM4E (0.41) CYP1A2SIGMAR1KDM4ETDP1MAPK1
SCHEMBL1524564 0.89 KDM4E (0.38) CYP1A2SIGMAR1KDM4ETDP1MAPK1
SCHEMBL2141114 0.89 MAPK1 (0.38) CYP1A2KDM4ETDP1MAPK1HSD17B10
SCHEMBL2136195 0.84 MAPK1 (0.38) CYP1A2SIGMAR1KDM4ETDP1MAPK1
SCHEMBL2138060 0.82 MAPK1 (0.37) SIGMAR1KDM4ETDP1MAPK1HSD17B10
SCHEMBL11075927 0.82 MAPK1 (0.37) SIGMAR1KDM4ETDP1MAPK1HSD17B10
SCHEMBL3538805 0.80 KDM4E (0.33) KDM4ETDP1MAPK1SLC18A3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101087772-B High-purity alicyclic diepoxy compound and preparation method thereof DAICEL CHEM 2012-05-09 CN disclosed
CN-1934098-B High-purity alicyclic epoxy compound, process for producing the same, curable epoxy resin composition, cured article thereof, and use DAICEL CHEM 2012-04-25 CN disclosed
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
CN-1934098-A High-purity alicyclic epoxy compound, process for producing the same, curable epoxy resin composition, cured article thereof, and use DAICEL CHEM (JP) 2007-03-21 CN 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 3854/4885KDM4E 3356/4885

“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.