SCHEMBL1696183

SCHEMBL1696183

CC(=O)c1ccc([18F])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
MAOB P27338 2/20 0.60
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
PTGS1 P23219 1/20 0.56
HPGD P15428 2/20 0.54
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.53
BCL2L1 Q07817 1/20 0.52
BAD Q92934 1/20 0.52
HSD17B1 P14061 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD11B1 P28845 1/20 0.51
PTPN1 P18031 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL54677 1.00 CES2 (0.62) CES2CES1MAOBCA1CA2
Hydrochloric Acid SCHEMBL27523727 0.97 CES2 (0.59) CES2CES1MAOBCA1CA2
Acetic Acid SCHEMBL28372390 0.95 CES2 (0.56) CES2CES1MAOBCA1CA2
Boric Acid SCHEMBL29051484 0.93 MAOB (0.55) CES2CES1MAOBCA1CA2
SCHEMBL7937485 0.93 LTA4H (0.59) CES2CES1MAOBCA1CA2
SCHEMBL4448294 0.93 SMN1; SMN2 (0.64) CES2CES1MAOBCA1CA2
Acetohydroxamic Acid SCHEMBL28835704 0.89 MAOB (0.51) CES2CES1MAOBCA1CA2
SCHEMBL3370005 0.87 HPGD (0.79) CES2CES1MAOBCA1CA2
SCHEMBL7938515 0.87 KMT2A (0.79) CES2CES1MAOBCA1CA2
SCHEMBL3138940 0.87 HPGD (0.79) CES2CES1MAOBPTGS1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674101-B2 Nucleophilic fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-18 US disclosed
US-20130251632-A1 APOPTOSIS PET IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2013-09-26 US disclosed
US-20130149241-A1 PEPTIDE RADIOTRACER COMPOSITIONS GE HEALTHCARE LIMITED (GB) 2013-06-13 US disclosed
US-20130052132-A1 Method for Producing Radioactively Labeled Polypeptide ARKRAY, INC. (JP) 2013-02-28 US disclosed
US-20120087863-A1 Peptide Derivative and Use of the Same ARKRAY, INC. (JP) 2012-04-12 US disclosed
US-20110206605-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same KYOTO UNIVERSITY (JP) 2011-08-25 US disclosed
US-20110196149-A1 FLUORIDATION METHOD GE HEALTHCARE LIMITED (GB) 2011-08-11 US disclosed
US-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 US disclosed
US-7935852-B2 Fluoridation method GE HEALTHCARE LIMITED (GB) 2011-05-03 US disclosed
US-20110081663-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same KYOTO UNIVERSITY (JP) 2011-04-07 US disclosed
US-7919579-B2 Imaging and therapeutic targeting of prostate and bladder tissues THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-04-05 US disclosed
US-20090123381-A1 IMAGING AND THERAPEUTIC TARGETING OF PROSTATE AND BLADDER TISSUES US ARMY, SECRETARY OF THE ARMY 2009-05-14 US disclosed
US-20070092441-A1 Fluoridation method GE HEALTHCARE LIMITED (GB) 2007-04-26 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 (10 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-20070092441-A1 Fluoridation method FLNB, FLNA, ARFGEF1 CES2 309/4885CES1 1352/4885MAOB 660/4885
US-20110206605-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same IAPP, NGLY1, GPR119 CES2 4040/4885CES1 1632/4885MAOB 4223/4885
US-20120087863-A1 Peptide Derivative and Use of the Same VIP, IAPP, GLP1R CES2 3993/4885CES1 3438/4885MAOB 3234/4885
US-20130052132-A1 Method for Producing Radioactively Labeled Polypeptide XPNPEP2, ARGLU1, XPNPEP1 CES2 2285/4885CES1 2904/4885MAOB 1545/4885
US-20110196149-A1 FLUORIDATION METHOD FLNB, FLNA, ARFGEF1 CES2 309/4885CES1 1352/4885MAOB 660/4885
US-20130251632-A1 APOPTOSIS PET IMAGING AGENTS BAX, CASP3, PHOSPHO1 CES2 1864/4885CES1 1492/4885MAOB 4327/4885
US-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS SLC18A2, AFF4, SLC6A19 CES2 1177/4885CES1 4597/4885MAOB 30/4885
US-20130149241-A1 PEPTIDE RADIOTRACER COMPOSITIONS MET, GRPR, MEN1 CES2 2771/4885CES1 2021/4885MAOB 4102/4885
US-20090123381-A1 IMAGING AND THERAPEUTIC TARGETING OF PROSTATE AND BLADDER TISSUES ADM2, DAB2IP, ARG2 CES2 3142/4885CES1 3453/4885MAOB 2197/4885
US-20110081663-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same IAPP, GPR119, NPY1R CES2 4439/4885CES1 1937/4885MAOB 3271/4885

“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.