SCHEMBL127018

SCHEMBL127018

Fc1cc(F)cc(C2CCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.38
KMO O15229 1/20 0.37
ACMSD Q8TDX5 2/20 0.36
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BACE1 P56817 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
EPHX2 P34913 1/20 0.34
GRIA4 P48058 1/20 0.34
HCRTR2 O43614 1/20 0.34
DAO P14920 1/20 0.33
NPY5R Q15761 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PDK2 Q15119 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL14295821 0.97 CYP11B2 (0.39) CYP11B2KMOACMSDHSP90AA1GAA
SCHEMBL18284064 0.92 GRIA4 (0.39) GRIA4HCRTR2NPY5R
SCHEMBL3157843 0.87 NPY5R (0.39) GRIA4HCRTR2NPY5R
SCHEMBL18210770 0.85 NR1I2 (0.39) CYP11B2KMOMAPTTDP1CYP3A4
SCHEMBL16978456 0.84 NPY5R (0.35) GRIA4HCRTR2NPY5R
SCHEMBL778084 0.84 CYP11B2 (0.46) CYP11B2KMOACMSDHSP90AA1GAA
SCHEMBL24032698 0.83 CYP11B2 (0.35) CYP11B2KMOACMSDHSP90AA1GAA
SCHEMBL778085 0.81 HDAC8 (0.43) CYP11B2KMOACMSDHSP90AA1GAA
SCHEMBL18210664 0.80 CYP2C9 (0.38) CYP11B2KMOPDK2CYP3A4
SCHEMBL17147808 0.79 NPY5R (0.35) GRIA4HCRTR2NPY5R

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-20070148554-A1 Non-aqueous electrolytic solution and lithium secondary battery UBE INDUSTRIES, LTD. (JP) 2007-06-28 US claimed
CN-109952300-B 5-or 8-substituted imidazo [1,5-a ] pyridines 百济神州有限公司 2022-01-18 CN disclosed
US-11060029-B2 Liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2021-07-13 US disclosed
EP-2861585-B1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2019-01-09 EP disclosed
US-9181484-B2 Compound having 2-fluorophenyloxymethane structure DIC CORPORATION (JP) 2015-11-10 US disclosed
US-20150087847-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2015-03-26 US disclosed
US-8916718-B2 Compound having 2-fluorophenyloxymethane structure DIC CORPORATION (JP) 2014-12-23 US disclosed
US-20140275577-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2014-09-18 US disclosed
EP-1691441-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY COMPRISING THE SAME UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-7794885-B2 Non-aqueous electrolytic solution and lithium secondary battery UBE INDUSTRIES, LTD. (JP) 2010-09-14 US disclosed
US-20070148554-A1 Non-aqueous electrolytic solution and lithium secondary battery UBE INDUSTRIES, LTD. (JP) 2007-06-28 US disclosed
US-20070082271-A1 Non-aqueous electrolytic solution and lithium secondary battery UBE INDUSTRIES, LTD. (JP) 2007-04-12 US disclosed
EP-1691441-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY Ube Industries, Ltd. (JP) 2006-08-16 EP 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 (1 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-20140275577-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE PIK3CD, TEC, PIK3C3 CYP11B2 2972/4885KMO 2574/4885ACMSD 1007/4885

“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.