SCHEMBL669285

SCHEMBL669285

Cc1[c]c(C)cc(C)c1.[Cu]

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
ACHE P22303 2/20 0.33
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32

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
SCHEMBL18896 0.96
SCHEMBL3891669 0.93 ALDH1A1 (0.37) ALDH1A1TSHRACHESELLSELP
SCHEMBL27921848 0.93 ALDH1A1 (0.37) ALDH1A1TSHRACHESELLSELP
SCHEMBL3888279 0.93 ALDH1A1 (0.37) ALDH1A1TSHRACHESELLSELP
SCHEMBL3887319 0.93 ALDH1A1 (0.37) ALDH1A1TSHRACHESELLSELP
SCHEMBL23531515 0.93 ALDH1A1 (0.37) ALDH1A1TSHRACHESELLSELP
SCHEMBL9982849 0.93 ALDH1A1 (0.37) ALDH1A1TSHRACHESELLSELP
SCHEMBL27626628 0.93 ALDH1A1 (0.37) ALDH1A1TSHRACHESELLSELP
Benzene SCHEMBL8022186 0.90 ACHE (0.37) ALDH1A1TSHRACHESELLSELP
SCHEMBL28040370 0.90 ALDH1A1 (0.42) ALDH1A1TSHRACHESELLSELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230272232-A1 Low Temperature Antioxidant Reductant for Copper Nanoparticles NNSA 2023-08-31 US claimed
US-9193648-B2 Fluoroalkylation methods and reagents BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-11-24 US claimed
EP-2606048-A1 FLUOROALKYLATION METHODS AND REAGENTS The Board of Trustees of the University of Illinois (US) 2013-06-26 EP claimed
WO-2012024564-A1 FLUOROALKYLATION METHODS AND REAGENTS THE BOARD OF TRUSTESS OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-23 WO claimed
US-20230272232-A1 Low Temperature Antioxidant Reductant for Copper Nanoparticles NNSA 2023-08-31 US disclosed
US-20180257144-A1 Low temperature method to produce coinage metal nanoparticles NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC 2018-09-13 US disclosed
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-20170181291-A1 Multi-component nanoinks for direct write applications SANDIA CORPORATION 2017-06-22 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-20150284341-A1 FLUOROALKYL-SUBSTITUTED DERIVATIVES OF PYRIDINE, PYRIMIDINE, AND PYRAZINE CATYLIX INC (US) 2015-10-08 US disclosed
US-20140176022-A1 COMPLEX COMPOUNDS HAVING A POLYDENTATE, ASYMMETRICAL LIGAND AND THE USE THEREOF IN THE OPTO-ELECTRONIC FIELD MERCK PATENT GMBH (DE) 2014-06-26 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 (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-20130225815-A1 Fluoroalkylation Methods And Reagents ALK, AFF4, AFF2 ALDH1A1 1320/4885TSHR 331/4885ACHE 1553/4885
US-20150284341-A1 FLUOROALKYL-SUBSTITUTED DERIVATIVES OF PYRIDINE, PYRIMIDINE, AND PYRAZINE PFAS, AFF2, AFF4 ALDH1A1 923/4885TSHR 301/4885ACHE 3916/4885
US-20160185691-A1 One-Component Reagent for the Fluoroalkylation Reaction AOC1, AOC3, AOC2 ALDH1A1 167/4885TSHR 1993/4885ACHE 3008/4885

“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.