SCHEMBL5468765

SCHEMBL5468765

[CH]=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
RPS6KA3 P51812 1/20 0.39
JAK3 P52333 1/20 0.39
AHR P35869 1/20 0.38
IDO1 P14902 3/20 0.37
TDO2 P48775 1/20 0.37
NFE2L2 Q16236 1/20 0.34
PTGS1 P23219 1/20 0.33
ADRB1 P08588 1/20 0.33
FBP1 P09467 1/20 0.32
IKBKB O14920 1/20 0.32

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
SCHEMBL15741510 0.79 CES2 (0.41) CES2RPS6KA3JAK3AHRIDO1
SCHEMBL5249757 0.78 CES2 (0.44) CES2RPS6KA3JAK3AHRIDO1
SCHEMBL216267 0.77 NFE2L2 (0.55) CES2IDO1TDO2NFE2L2FBP1
SCHEMBL440959 0.76 CES2 (0.58) CES2IDO1ADRB1
SCHEMBL5543022 0.76 CES2 (0.42) CES2RPS6KA3JAK3AHRIDO1
SCHEMBL5776964 0.76 CES2 (0.42) CES2RPS6KA3JAK3AHRIDO1
SCHEMBL1547520 0.74 CES2 (0.41) CES2RPS6KA3JAK3AHRIDO1
SCHEMBL637115 0.74 CYP1A2 (0.48) CES2AHRPTGS1FBP1
SCHEMBL66819 0.74 CES2 (0.46) CES2RPS6KA3JAK3IDO1TDO2
SCHEMBL347778 0.74 CES2 (0.41) CES2RPS6KA3JAK3AHRIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277742-A1 FLUORESCENT SILOXANE ELASTOMER, METHOD FOR PRODUCING SAME, AND USE Polymerics GmbH (DE) 2018-02-07 EP claimed
WO-2016155695-A1 FLUORESCENT SILOXANE ELASTOMER, METHOD FOR PRODUCING SAME, AND USE POLYMERICS GMBH (DE) 2016-10-06 WO claimed
CN-111162312-A Solid polymer electrolyte containing boron-fluorine structure and preparation method and application thereof 珠海冠宇电池有限公司 2020-05-15 CN disclosed
EP-3277742-A1 FLUORESCENT SILOXANE ELASTOMER, METHOD FOR PRODUCING SAME, AND USE Polymerics GmbH (DE) 2018-02-07 EP disclosed
WO-2016155695-A1 FLUORESCENT SILOXANE ELASTOMER, METHOD FOR PRODUCING SAME, AND USE POLYMERICS GMBH (DE) 2016-10-06 WO disclosed
US-8895565-B2 Heterocyclic compound and use of the same NISHIO TETSUYA (JP) 2014-11-25 US disclosed
US-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME NISHIO TETSUYA (JP) 2011-12-29 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 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 (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-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME CYP2D6, CYP2B6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CES2 128/4885RPS6KA3 396/4885JAK3 4493/4885
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 CES2 4194/4885RPS6KA3 2634/4885JAK3 3030/4885

“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.