SCHEMBL668608

SCHEMBL668608

CCOC(=O)c1cccc(Cl)c1I

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 1/20 0.51
CDC25B P30305 2/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
BAZ2B Q9UIF8 1/20 0.48
BAZ2A Q9UIF9 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
METTL3 Q86U44 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3309709 0.83 TSHR (0.63) TSHRALDH1A1HSD17B10CDC25BCA12
SCHEMBL11418791 0.83 TSHR (0.63) TSHRALDH1A1HSD17B10CDC25BCYP4F2
SCHEMBL2601348 0.83 TSHR (0.63) TSHRALDH1A1HSD17B10CDC25BCYP4F2
SCHEMBL406428 0.82 TSHR (0.74) TSHRALDH1A1HSD17B10CDC25BCYP4F2
SCHEMBL4625495 0.81 TSHR (0.61) TSHRALDH1A1HSD17B10CDC25BCYP4F2
SCHEMBL2226875 0.81 NR4A2 (0.51) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL23078360 0.80 TSHR (0.59) TSHRALDH1A1HSD17B10CDC25BCYP4F2
SCHEMBL9188030 0.80 TSHR (0.59) TSHRALDH1A1HSD17B10CDC25BCYP4F2
SCHEMBL22853326 0.80 TSHR (0.59) TSHRALDH1A1HSD17B10CDC25BCYP4F2
SCHEMBL22206861 0.80 TSHR (0.59) TSHRALDH1A1HSD17B10CDC25BCYP4F2

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 TSHR 331/4885ALDH1A1 1320/4885HSD17B10 4024/4885
US-20160185691-A1 One-Component Reagent for the Fluoroalkylation Reaction AOC1, AOC3, AOC2 TSHR 1993/4885ALDH1A1 167/4885HSD17B10 2483/4885

“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.