SCHEMBL2930997

SCHEMBL2930997

COc1ccc(CNCCCNCc2ccc(OC)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.85
SCN8A Q9UQD0 1/20 0.64
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ATM Q13315 1/20 0.57
MITF O75030 1/20 0.55
LMNA P02545 1/20 0.55
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
GPR35 Q9HC97 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
XBP1 P17861 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55

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
SCHEMBL22839742 0.96 CHRM2 (0.92) CHRM2SCN8AKDM4EGAAMEN1
SCHEMBL2938432 0.91 CHRM2 (0.78) CHRM2SCN8AKDM4EGAAMEN1
SCHEMBL10382814 0.90 CHRM2 (0.77) CHRM2SCN8AKDM4EGAAMEN1
SCHEMBL4919379 0.89 CHRM2 (0.81) CHRM2SCN8AKDM4EGAAMEN1
SCHEMBL5040557 0.89 CHRM2 (0.81) CHRM2SCN8AKDM4EGAAMEN1
SCHEMBL4914700 0.89 CHRM2 (0.81) CHRM2SCN8AKDM4EGAAMEN1
SCHEMBL31040242 0.89 CHRM2 (0.74) CHRM2SCN8AKDM4EGAAMEN1
SCHEMBL20871143 0.89 CHRM2 (0.80) CHRM2SCN8AKDM4EGAAMEN1
SCHEMBL9211769 0.89 CHRM2 (0.74) CHRM2SCN8AKDM4EGAAMEN1
SCHEMBL10151336 0.89 CHRM2 (0.74) CHRM2SCN8AKDM4EGAAMEN1

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
EP-2114899-B1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH & CIE (CH) 2010-09-22 EP claimed
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 US claimed
EP-2114899-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-11-11 EP claimed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 WO claimed
EP-2114899-B1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH & CIE (CH) 2010-09-22 EP disclosed
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 US disclosed
EP-2114899-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-11-11 EP disclosed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 WO 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-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES PKM, APEH, PLG CHRM2 589/4885SCN8A 3858/4885KDM4E 1451/4885

“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.