SCHEMBL469641

SCHEMBL469641

CCCCCCCOCCCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.59
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SIGMAR1 Q99720 2/20 0.51
HTR2A P28223 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
HRH3 Q9Y5N1 2/20 0.51
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50

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
SCHEMBL19322733 1.00 KCNH2 (0.59) KCNH2TDP1L3MBTL1SIGMAR1HTR2A
SCHEMBL8853296 1.00 KCNH2 (0.59) KCNH2TDP1L3MBTL1SIGMAR1HTR2A
SCHEMBL2670017 1.00 KCNH2 (0.59) KCNH2TDP1L3MBTL1SIGMAR1HTR2A
SCHEMBL22268758 1.00 KCNH2 (0.59) KCNH2TDP1L3MBTL1SIGMAR1HTR2A
Ammonia Solution, Strong SCHEMBL28095936 0.98 KCNH2 (0.57) KCNH2TDP1L3MBTL1SIGMAR1HTR2A
SCHEMBL18874443 0.96 TDP1 (0.61) KCNH2TDP1L3MBTL1SIGMAR1HTR2A
SCHEMBL18511816 0.96 TDP1 (0.61) KCNH2TDP1L3MBTL1SIGMAR1HTR2A
SCHEMBL18483888 0.96 TDP1 (0.61) KCNH2TDP1L3MBTL1SIGMAR1HTR2A
SCHEMBL7905269 0.96 TDP1 (0.61) KCNH2TDP1L3MBTL1SIGMAR1HTR2A
SCHEMBL27396395 0.96 HRH3 (0.55) KCNH2TDP1L3MBTL1SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648214-B2 Processes suitable for the preparation of salmeterol GENERICS [UK] LIMITED (GB) 2014-02-11 US disclosed
EP-1658076-B1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2013-03-06 EP disclosed
US-8263594-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-09-11 US disclosed
US-8263594-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-09-11 US disclosed
WO-2012032546-A2 PROCESS FOR THE PREPARATION OF SALMETEROL AND ITS INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2012-03-15 WO disclosed
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2011-06-16 US disclosed
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2011-06-16 US disclosed
US-7897597-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-7897597-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2009-01-15 US disclosed
US-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2009-01-15 US disclosed
US-20080262267-A1 NOVEL PROCESS GENERICS [UK] LIMITED (GB) 2008-10-23 US 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 (3 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-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines IL2, IFNG, IRF3 KCNH2 4376/4885TDP1 3657/4885L3MBTL1 3724/4885
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 KCNH2 4324/4885TDP1 3640/4885L3MBTL1 3693/4885
US-20080262267-A1 NOVEL PROCESS CYP4A11, HSD3B1, HSD11B1 KCNH2 1922/4885TDP1 2720/4885L3MBTL1 3145/4885

“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.