SCHEMBL2400520

SCHEMBL2400520

COC(=O)C(C)c1ccc(C(F)C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
MT-CO2 P00403 1/20 0.44
PTGS2 P35354 2/20 0.44
PTGS1 P23219 1/20 0.44
KMT2A Q03164 1/20 0.40
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL28449377 0.85 HPGD (0.50) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL17086711 0.81 HPGD (0.50) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL2170797 0.81 HPGD (0.50) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL14864467 0.81 HPGD (0.50) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL12896284 0.80 HPGD (0.53) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL11130803 0.80 HPGD (0.53) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL2399692 0.79 HPGD (0.49) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL17073087 0.79 HPGD (0.46) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL11014337 0.79 ALOX15 (0.49) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL16414451 0.79 PTGS2 (0.57) HPGDPTGS2PTGS1KMT2ACXCR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336711-A1 REAGENTS AND METHODS FOR ALIPHATIC CARBON-HYDROGEN BOND FUNCTIONALIZATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2024-10-10 US disclosed
WO-2022241129-A1 REAGENTS AND METHODS FOR ALIPHATIC CARBON—HYDROGEN BOND FUNCTIONALIZATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-11-17 WO disclosed
US-10590057-B2 Isotopic fluorination and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-03-17 US disclosed
WO-2017106340-A1 ISOTOPIC FLUORINATION AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-06-22 WO disclosed
US-20160264512-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-09-15 US disclosed
WO-2015134467-A1 METHODS AND COMPOSITIONS FOR DIRECT RADIOACTIVE LABELING OF BIO-ACTIVE MOLECULES AND BUILDING BLOCKS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-09-11 WO disclosed
WO-2015054476-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-04-16 WO disclosed
US-20150031768-A1 C-HALOGEN BOND FORMATION NATIONAL SCIENCE FOUNDATION 2015-01-29 US disclosed
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
EP-2069513-A2 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES California Institute of Technology (US) 2009-06-17 EP disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
WO-2008016709-A9 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INST OF TECHN (US) 2008-05-29 WO disclosed
WO-2008016709-A2 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-02-07 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 (4 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-10590057-B2 Isotopic fluorination and applications thereof FTH1, SFXN3, SOD1 HPGD 1704/4885MT-CO2 245/4885PTGS2 4085/4885
US-20240336711-A1 REAGENTS AND METHODS FOR ALIPHATIC CARBON-HYDROGEN BOND FUNCTIONALIZATION NCF1, SHROOM3, NPM1 HPGD 427/4885MT-CO2 67/4885PTGS2 1711/4885
US-20160264512-A1 C-HALOGEN BOND FORMATION FOS, BCL3, CBR3 HPGD 4306/4885MT-CO2 1429/4885PTGS2 4494/4885
US-20150031768-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 HPGD 3589/4885MT-CO2 355/4885PTGS2 4205/4885

“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.