SCHEMBL3551008

SCHEMBL3551008

C1CCC(CCC2CCC3OC3C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
SIGMAR1 Q99720 3/20 0.34
HPGD P15428 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
METAP1 P53582 1/20 0.32
CHRM5 P08912 2/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
EPHX1 P07099 1/20 0.32
NFE2L2 Q16236 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
SCHEMBL3548341 0.92 CYP1A2 (0.43) CYP1A2SIGMAR1HPGDEPHX1
SCHEMBL3550788 0.92 SIGMAR1 (0.45) CYP1A2SIGMAR1EPHX1
SCHEMBL3547848 0.90 SIGMAR1 (0.48) CYP1A2SIGMAR1EPHX1
SCHEMBL3546443 0.90 SIGMAR1 (0.48) CYP1A2SIGMAR1EPHX1
SCHEMBL5703992 0.89 PTGS1 (0.37) PTGS1PTGS2
SCHEMBL1904180 0.83 CHRM5 (0.32) CHRM5ADRA2CCHRM2CHRM4CHRM1
SCHEMBL3542361 0.81 PTGS1 (0.41) PTGS1PTGS2
SCHEMBL17758775 0.80 PTGS1 (0.41) PTGS1PTGS2
SCHEMBL10771045 0.79 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL21219899 0.79 PTGS1 (0.33) PTGS1PTGS2

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
CN-102471495-B Aluminum chelate-based latent curing agent SONY CHEM & INF DEVICE CORP 2013-10-23 CN disclosed
CN-102471495-A Aluminum chelate-based latent curing agent SONY CHEM & INF DEVICE CORP 2012-05-23 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
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 3854/4885HPGD 453/4885

“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.