SCHEMBL2829374

SCHEMBL2829374

C=Cc1ccc(N(CCCCCC)CCCCCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 3/20 0.40
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40
KDM4A O75164 2/20 0.40
KDM2A Q9Y2K7 2/20 0.40
AR P10275 1/20 0.39
CNR2 P34972 4/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 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
SCHEMBL8640779 1.00 INSR (0.42) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL31184618 1.00 INSR (0.42) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL31184377 1.00 INSR (0.42) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL5497895 0.98 CHRM2 (0.43) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL609812 0.93 CHRM2 (0.47) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL28579336 0.91 ALDH1A1 (0.47) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL21378245 0.89 CHRM2 (0.45) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL13860143 0.88 CHRM2 (0.53) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL13860141 0.88 CHRM2 (0.53) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL7719119 0.85 CHRM2 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842758-B2 Conjugated materials featuring proquinoidal units THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-11-30 US disclosed
US-20090221762-A1 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS THE TRUSSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-09-03 US disclosed
WO-2007081991-A9 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS UNIV PENNSYLVANIA (US) 2007-09-07 WO disclosed
WO-2007081991-A2 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-07-19 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-20090221762-A1 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS PML, ILK, PARG INSR 2894/4885CHRM2 2377/4885CHRM4 640/4885

“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.