SCHEMBL5493740

SCHEMBL5493740

CCCCCN(CCCCC)c1ccc(/C=C/c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
INSR P06213 2/20 0.53
RELA Q04206 2/20 0.52
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
ATG4B Q9Y4P1 1/20 0.49
AR P10275 1/20 0.47
KDM4A O75164 4/20 0.45
KDM2A Q9Y2K7 4/20 0.45
CTDSP1 Q9GZU7 1/20 0.44
APP P05067 4/20 0.43
MAPT P10636 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL5712602 1.00 INSR (0.53) INSRRELACHRM2CHRM4CHRM5
SCHEMBL28387158 0.98 INSR (0.55) INSRRELACHRM2CHRM4CHRM5
SCHEMBL9822952 0.98 INSR (0.55) INSRRELACHRM2CHRM4CHRM5
SCHEMBL13091028 0.95 CHRM2 (0.55) INSRRELACHRM2CHRM4CHRM5
SCHEMBL5712573 0.93 CHRM2 (0.55) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL5712574 0.93 CHRM2 (0.55) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL1832514 0.93 CHRM2 (0.55) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL2604957 0.91 CHRM2 (0.57) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL7719119 0.91 CHRM2 (0.54) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL1832513 0.90 INSR (0.51) INSRCHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276627-B2 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2007-10-02 US claimed
US-20060224017-A1 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2006-10-05 US claimed
US-20120299045-A1 ORGANIC ELECTROLUMINESCENT DEVICE WITH INTEGRATED LAYER FOR COLOUR CONVERSION MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-11-29 US disclosed
US-7276627-B2 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2007-10-02 US disclosed
US-20060224017-A1 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2006-10-05 US disclosed
US-20060214553-A1 Organic electroluminescent device KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2006-09-28 US disclosed
US-20060158104-A1 Organic EL device KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2006-07-20 US disclosed
EP-1670083-A2 Organic el device Kabushiki Kaisha Toyota Jidoshokki (JP) 2006-06-14 EP disclosed
EP-1613132-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kabushiki Kaisha Toyota Jidoshokki (JP) 2006-01-04 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 (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-20060224017-A1 One pot sequential reactions and novel products produced thereby PNMT, CYP1A1, TERT INSR 848/4885RELA 1503/4885CHRM2 4567/4885

“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.