SCHEMBL668308

SCHEMBL668308

COc1cc(C=O)cc(C(F)(F)F)c1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48
TUBA1C Q9BQE3 2/20 0.48
TUBB6 Q9BUF5 2/20 0.48
TUBB2B Q9BVA1 2/20 0.48
TUBB1 Q9H4B7 2/20 0.48
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL896271 0.85 ALDH1A1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3395431 0.85 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Ethane SCHEMBL8038073 0.83 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24110815 0.79 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8704292 0.79 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL660556 0.78 KIF11 (0.40) ALDH1A1MAPK1KDM4ECYP1A2CYP3A4
SCHEMBL668507 0.78 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4324647 0.78 ALDH1A1 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Ethane SCHEMBL7955046 0.77 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1458171 0.77 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4APPGAA

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 10 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-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-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-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
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 TUBB4A 1289/4885TUBB 1088/4885TUBA3C 775/4885
US-20160185691-A1 One-Component Reagent for the Fluoroalkylation Reaction AOC1, AOC3, AOC2 TUBB4A 840/4885TUBB 462/4885TUBA3C 346/4885

“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.