SCHEMBL3100557

SCHEMBL3100557

ClC1=[C]Oc2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.44
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
ALOX5 P09917 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL3104009 0.74 AHR (0.53) AHR
SCHEMBL3108896 0.71 AHR (0.34) AHRMAOAMAOBALOX5
SCHEMBL3106117 0.71 AHR (0.33) AHR
SCHEMBL3105944 0.71 AHR (0.33) AHR
SCHEMBL2956212 0.68 NTSR1 (0.37) AHR
SCHEMBL3094025 0.68 ALDH1A1 (0.38) AHRMAPK1
SCHEMBL3100707 0.68 P2RX7 (0.33) AHR
SCHEMBL8932796 0.68 AHR (0.57) AHRMAOAMAOBALOX5
SCHEMBL2362430 0.68 AHR (0.57) AHRMAOAMAOBALOX5
SCHEMBL125113 0.66 MAOA (0.56) AHRMAOAMAOBALOX5MAPK1

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
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US claimed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US claimed
US-8338608-B2 Inhibitors of ion channels ICAGEN INC. (US) 2012-12-25 US disclosed
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US disclosed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US disclosed
EP-1945029-A2 INHIBITORS OF ION CHANNELS Icagen, Inc. (US) 2008-07-23 EP disclosed
US-20070135493-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-06-14 US disclosed
WO-2007056099-A2 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2007-05-18 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 (2 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-20100234343-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 AHR 1415/4885MAOA 2891/4885MAOB 2563/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 AHR 1415/4885MAOA 2891/4885MAOB 2563/4885

“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.