SCHEMBL668783

SCHEMBL668783

Brc1ccc(COCc2ccc(I)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.68
IDO1 P14902 4/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL9342895 0.88 IDO1 (0.64) APPIDO1TSHRMAOB
SCHEMBL649020 0.88 IDO1 (0.64) APPIDO1TSHRMAOB
SCHEMBL508682 0.88 CYP3A4 (0.64) APPIDO1CYP3A4TSHR
SCHEMBL15271017 0.81 APP (1.00) APPMAOB
SCHEMBL18429784 0.81 APP (1.00) APPMAOB
SCHEMBL134086 0.80 IDO1 (0.61) APPIDO1TSHRMAOB
SCHEMBL2657770 0.79 TSHR (0.71) APPIDO1TSHRMAOB
SCHEMBL3500426 0.79 TSHR (0.71) APPIDO1CYP3A4TSHR
SCHEMBL9342149 0.78 IDO1 (0.58) APPIDO1TSHRMAOB
SCHEMBL8142452 0.78 APP (0.57) APPIDO1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758453-B2 One-component reagent for the fluoroalkylation reaction THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-09-12 US disclosed
US-20160185691-A1 One-Component Reagent for the Fluoroalkylation Reaction THE BOARD OF TRUSTEES OF THE UNIVERSITY OF LLLINOIS (US) 2016-06-30 US disclosed
US-9193648-B2 Fluoroalkylation methods and reagents BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-11-24 US disclosed
US-20130225815-A1 Fluoroalkylation Methods And Reagents THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-08-29 US disclosed
EP-2606048-A1 FLUOROALKYLATION METHODS AND REAGENTS The Board of Trustees of the University of Illinois (US) 2013-06-26 EP disclosed
WO-2012024564-A1 FLUOROALKYLATION METHODS AND REAGENTS THE BOARD OF TRUSTESS OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-23 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-20130225815-A1 Fluoroalkylation Methods And Reagents ALK, AFF4, AFF2 APP 2779/4885IDO1 4246/4885CYP3A4 718/4885
US-20160185691-A1 One-Component Reagent for the Fluoroalkylation Reaction AOC1, AOC3, AOC2 APP 4526/4885IDO1 2884/4885CYP3A4 910/4885

“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.