SCHEMBL4871929

SCHEMBL4871929

O=[C]NCCCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
CYP1A2 P05177 1/20 0.45
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
EPHX1 P07099 2/20 0.38
HPGD P15428 1/20 0.36
KDM5A P29375 3/20 0.36
PHF8 Q9UPP1 3/20 0.36
KDM2A Q9Y2K7 3/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM4A O75164 1/20 0.36

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
SCHEMBL5653604 0.98 SIGMAR1 (0.44) SIGMAR1CYP1A2KDM1AMAOAMAOB
SCHEMBL8861016 0.94 SIGMAR1 (0.55) SIGMAR1CYP1A2EPHX1HPGDKDM5A
SCHEMBL8860836 0.92 SIGMAR1 (0.58) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL8861067 0.92 SIGMAR1 (0.58) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL1678409 0.89
SCHEMBL348935 0.87 EPHX1 (0.44) SIGMAR1CYP1A2KDM1AMAOAMAOB
SCHEMBL5646902 0.87 EPHX1 (0.44) SIGMAR1CYP1A2KDM1AMAOAMAOB
SCHEMBL5649837 0.85 EPHX1 (0.41) SIGMAR1CYP1A2KDM1AMAOAMAOB
SCHEMBL1678868 0.83 SIGMAR1 (0.41) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL1679136 0.81 SIGMAR1 (0.44) SIGMAR1KDM5APHF8KDM2AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255070-B2 Method of deuteration using mixed catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-25 US disclosed
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 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-20080234488-A1 Method of Deuteration Using Mixed Catalyst HDHD5, DHX35, HRH3 SIGMAR1 2928/4885CYP1A2 798/4885KDM1A 2091/4885
US-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 SIGMAR1 539/4885CYP1A2 877/4885KDM1A 2492/4885

“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.