SCHEMBL5486206

SCHEMBL5486206

COc1c(C)cc(N2CCOC2=O)cc1N1CCOC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
CRHR1 P34998 1/20 0.35
MAPK10 P53779 1/20 0.34
IDH1 O75874 2/20 0.34
CMA1 P23946 5/20 0.33
PDE10A Q9Y233 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
PKM P14618 1/20 0.32
APLNR P35414 1/20 0.32
TYK2 P29597 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL6261654 0.84 SCN9A (0.35) PIK3CAMTORCRHR1MAPK10IDH1
SCHEMBL5692224 0.82 PIK3CA (0.37) ALDH1A1PIK3CAMTORCRHR1MAPK10
SCHEMBL5176620 0.82 ALDH1A1 (0.37) ALDH1A1PIK3CAMTORCRHR1MAPK10
SCHEMBL5175915 0.82 CMA1 (0.35) PIK3CAMTORIDH1CMA1HTR1A
SCHEMBL5158447 0.81 ALDH1A1 (0.36) ALDH1A1PIK3CAMTORCRHR1MAPK10
SCHEMBL293506 0.77 PIK3CA (0.39) PIK3CAMTORCRHR1MAPK10CMA1
SCHEMBL294265 0.76 PIK3CA (0.43) PIK3CAMTORCRHR1MAPK10CMA1
SCHEMBL512006 0.76 PIK3CA (0.39) PIK3CAMTORCMA1PDE10AAPLNR
SCHEMBL17151142 0.75 PIK3CA (0.47) ALDH1A1PIK3CAMTORCMA1PDE10A
SCHEMBL5800891 0.75 PIK3CA (0.43) PIK3CAMTORCRHR1MAPK10IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1629824-A1 New coupler components Henkel Kommanditgesellschaft auf Aktien (DE) 2006-03-01 EP claimed
US-20060000032-A1 Novel coupling components HENKEL AG & CO. KGAA (DE) 2006-01-05 US claimed
EP-1517669-B1 NOVEL COUPLING COMPONENTS HENKEL KGAA (DE) 2005-10-26 EP claimed
US-7211119-B2 Coupling components HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-05-01 US disclosed
EP-1647266-A1 New coupler components Henkel Kommanditgesellschaft auf Aktien (DE) 2006-04-19 EP disclosed
EP-1629824-A1 New coupler components Henkel Kommanditgesellschaft auf Aktien (DE) 2006-03-01 EP disclosed
EP-1629824-A1 New coupler components Henkel Kommanditgesellschaft auf Aktien (DE) 2006-03-01 EP disclosed
US-20060000032-A1 Novel coupling components HENKEL AG & CO. KGAA (DE) 2006-01-05 US disclosed
EP-1517669-B1 NOVEL COUPLING COMPONENTS HENKEL KGAA (DE) 2005-10-26 EP disclosed
EP-1517669-A1 NOVEL COUPLING COMPONENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-03-30 EP disclosed
WO-2004058204-A1 NOVEL COUPLING COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 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-20060000032-A1 Novel coupling components KRT18, C9, H1-4 ALDH1A1 450/4885PIK3CA 4334/4885MTOR 3510/4885

“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.