SCHEMBL1679136

SCHEMBL1679136

O=[C]NCCCCCCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
KDM5A P29375 4/20 0.36
PHF8 Q9UPP1 4/20 0.36
KDM2A Q9Y2K7 4/20 0.36
KDM4C Q9H3R0 3/20 0.36
KDM7A Q6ZMT4 1/20 0.36
TP53 P04637 1/20 0.30
KDM4A O75164 1/20 0.30

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
SCHEMBL1678851 1.00 SIGMAR1 (0.44) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL1678868 0.98 SIGMAR1 (0.41) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL1678409 0.91
SCHEMBL8861067 0.90 SIGMAR1 (0.58) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL8860836 0.90 SIGMAR1 (0.58) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL8861016 0.88 SIGMAR1 (0.55) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL5653604 0.83 SIGMAR1 (0.44) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL5649211 0.81
SCHEMBL4871929 0.81 SIGMAR1 (0.47) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL3425766 0.78 KDM4E (0.30)

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-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 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 (2 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI SIGMAR1 4028/4885KDM5A 4777/4885PHF8 3699/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 SIGMAR1 706/4885KDM5A 2057/4885PHF8 2662/4885

“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.