SCHEMBL2947382

SCHEMBL2947382

O=C(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
RAB9A P51151 1/20 0.36
TET2 Q6N021 1/20 0.34
ACLY P53396 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL31678942 0.84 HTT (0.33) KMT2AMEN1HTTNPSR1LMNA
SCHEMBL5605510 0.84 TDP1 (0.43) KMT2AMEN1HTTNPSR1LMNA
SCHEMBL960819 0.79 ACLY (0.48) KMT2AMEN1HTTNPSR1LMNA
SCHEMBL5605062 0.77 KMT2A (0.41) KMT2AMEN1HTTNPSR1LMNA
SCHEMBL13560384 0.77 KMT2A (0.41) KMT2AMEN1HTTNPSR1LMNA
SCHEMBL2760099 0.71 TET2 (0.38) KMT2AMEN1HTTNPSR1LMNA
SCHEMBL2760102 0.71 ALDH1A1 (0.39) KMT2AMEN1HTTNPSR1LMNA
SCHEMBL14556955 0.71 TET2 (0.63) KMT2AMEN1HTTNPSR1LMNA
SCHEMBL1058273 0.69 PLA2G4A (0.38) HTTACLY
SCHEMBL11913512 0.69 TET2 (0.34) KMT2AMEN1HTTNPSR1TET2

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
WO-2021086219-A1 LIGHT-GATED PENTAMERIC CHANNEL - A NEW OPTOGENETIC TOOL FORSCHUNGSZENTRUM JÜLICH, INSTITUTE OF COMPLEX SYSTEMS (DE) 2021-05-06 WO disclosed
US-20170362281-A1 MUTANT NQ-RHODOPSIN KR 2 MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-12-21 US disclosed
EP-1645554-B1 NOVEL POLYMERIZABLE ACRYLATE COMPOUND CONTAINING HEXAFLUOROCARBINOL GROUP AND POLYMER MADE THEREFROM CENTRAL GLASS CO LTD (JP) 2010-12-08 EP disclosed
EP-1645554-B1 NOVEL POLYMERIZABLE ACRYLATE COMPOUND CONTAINING HEXAFLUOROCARBINOL GROUP AND POLYMER MADE THEREFROM CENTRAL GLASS CO LTD (JP) 2010-12-08 EP disclosed
US-7750178-B2 Polymerizable acrylate compound containing hexafluorocarbinol group and polymer made therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2010-07-06 US disclosed
US-7750178-B2 Polymerizable acrylate compound containing hexafluorocarbinol group and polymer made therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2010-07-06 US disclosed
US-7750178-B2 Polymerizable acrylate compound containing hexafluorocarbinol group and polymer made therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2010-07-06 US disclosed
US-20060217507-A1 Novel polymerizable acrylate compound containing hexafluorocarbinol group and polymer made therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2006-09-28 US disclosed
EP-1645554-A1 NOVEL POLYMERIZABLE ACRYLATE COMPOUND CONTAINING HEXAFLUOROCARBINOL GROUP AND POLYMER MADE THEREFROM Central Glass Company, Limited (JP) 2006-04-12 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-20060217507-A1 Novel polymerizable acrylate compound containing hexafluorocarbinol group and polymer made therefrom FGFR1, AFF1, PFAS KMT2A 2952/4885MEN1 2804/4885HTT 2779/4885

“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.