SCHEMBL244142

SCHEMBL244142

COc1ccc([I+](OS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
ACHE P22303 2/20 0.48
PKM P14618 1/20 0.47
BCHE P06276 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
FFAR4 Q5NUL3 2/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL760069 0.94 ALDH1A1 (0.46) ALDH1A1ACHEPKMBCHEMAPT
SCHEMBL2895874 0.90 GAA (0.46) ALDH1A1PKMRAPGEF4MEN1KMT2A
SCHEMBL3759301 0.87 ALDH1A1 (0.49) ALDH1A1ACHEBCHEEGFRLMNA
SCHEMBL2634850 0.85 LMNA (0.50) ALDH1A1PKMLMNA
SCHEMBL4655792 0.84 HTT (0.45) ALDH1A1PKMEGFRLMNA
SCHEMBL10492049 0.83 VDR (0.45) ALDH1A1ACHEBCHEMEN1KMT2A
SCHEMBL5699308 0.83 HSD11B1 (0.47) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL5400819 0.82 ACHE (0.43) ALDH1A1ACHEBCHEMEN1KMT2A
SCHEMBL2900955 0.82 BCHE (0.43) ALDH1A1ACHEBCHEMEN1KMT2A
SCHEMBL5382705 0.82 ACHE (0.43) ALDH1A1ACHEBCHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3284736-B1 FLUORINATION OF AROMATIC RING SYSTEMS NUTECH VENTURES (US) 2021-03-03 EP disclosed
EP-3284736-A1 FLUORINATION OF AROMATIC RING SYSTEMS NUtech Ventures (US) 2018-02-21 EP disclosed
EP-2537826-B1 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2017-03-08 EP disclosed
US-9302990-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2016-04-05 US disclosed
EP-2726446-A2 FLUORINATION OF AROMATIC RING SYSTEMS Nutech Ventures (US) 2014-05-07 EP disclosed
US-8604213-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2013-12-10 US disclosed
US-8377704-B2 Detection and quantification of anions NUTECH VENTURES (US) 2013-02-19 US disclosed
WO-2013003734-A2 FLUORINATION OF AROMATIC RING SYSTEMS NUTECH VENTURES (US) 2013-01-03 WO disclosed
EP-2537826-A1 Fluorination of aromatic ring systems Nutech Ventures (US) 2012-12-26 EP disclosed
US-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS NATIONAL SCIENCE FOUNDATION 2012-01-05 US disclosed
US-20110313170-A1 Fluorination of Aromatic Ring Systems BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2011-12-22 US disclosed
EP-2349977-A2 FLUORINATION OF AROMATIC RING SYSTEMS The Board of Regents of the University of Nebraska (US) 2011-08-03 EP disclosed
US-20110091982-A1 Detection and Quantification of Anions NUTECH VENTURES 2011-04-21 US disclosed
US-7759045-B2 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-20 US disclosed
WO-2010048170-A2 FLUORINATION OF AROMATIC RING SYSTEMS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2010-04-29 WO disclosed
US-20090004601-A1 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-01 US disclosed
US-6893794-B2 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20040018445-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-01-29 US disclosed
US-20030068573-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-10 US 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-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS PFAS, SLC43A1, DDC ALDH1A1 2774/4885ACHE 3064/4885PKM 1026/4885
US-20110313170-A1 Fluorination of Aromatic Ring Systems PFAS, SLC43A1, DDC ALDH1A1 2774/4885ACHE 3064/4885PKM 1026/4885

“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.