SCHEMBL712791

SCHEMBL712791

C=C(C)C(=O)OC(F)(F)C(F)(c1cccc(C(F)(C(F)(F)F)C(F)(F)OC(=O)C(=C)C)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
CES2 O00748 1/20 0.33
ACHE P22303 1/20 0.33
XPO1 O14980 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ELANE P08246 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
P2RX1 P51575 1/20 0.31
TP53 P04637 1/20 0.31
XBP1 P17861 1/20 0.30
PAX8 Q06710 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
SCHEMBL3692619 0.89 ELANE (0.39) GAACES2MAPTKMT2AELANE
SCHEMBL717322 0.87 SMN1; SMN2 (0.33) MAOBNPSR1CES2MAPTHTT
SCHEMBL717323 0.81 ELANE (0.36) MAOBGAAELANEALDH1A1
SCHEMBL2465362 0.81 PGK1 (0.40) MAOBPGK1PGK2NPSR1GAA
SCHEMBL14827330 0.76 CES2 (0.44) MAOBNPSR1GAACES2L3MBTL1
SCHEMBL17914416 0.75 HSD11B1 (0.36) PGK1PGK2ACHE
SCHEMBL17916938 0.75 NR1H3 (0.38) ACHEKMT2AMEN1SMN1; SMN2
SCHEMBL22336361 0.75 NR1H3 (0.38) PGK1PGK2KMT2AMEN1SMN1; SMN2
SCHEMBL25560152 0.74 NR1H3 (0.37) ACHEKMT2AMEN1SMN1; SMN2
SCHEMBL10662961 0.74 L3MBTL1 (0.36) MAOBPGK1PGK2NPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657304-B1 AZO DYE, OCULAR LENS MATERIAL, METHOD FOR PRODUCING OCULAR LENS MATERIAL, AND OCULAR LENS MENICON CO LTD (JP) 2022-12-07 EP disclosed
US-9017716-B2 Ophthalmic lens MENICON CO., LTD. (JP) 2015-04-28 US disclosed
EP-2657304-A1 AZO DYE, OCULAR LENS MATERIAL, METHOD FOR PRODUCING OCULAR LENS MATERIAL, AND OCULAR LENS Menicon Co., Ltd. (JP) 2013-10-30 EP disclosed
EP-2180366-B1 SILICONE-CONTAINING OCULAR LENS MATERIAL WITH HIGH SAFETY AND PREPARING METHOD THEREOF MENICON CO LTD (JP) 2013-09-25 EP disclosed
US-20130202551-A1 IONIC COMPOUND, COMPOSITION, CURED MATERIAL, HYDROGEL AND OPHTHALMIC LENS MENICON CO., LTD. (JP) 2013-08-08 US disclosed
EP-2581394-A1 IONIC COMPOUND, COMPOSITION, CURED PRODUCT, HYDROGEL, AND OCULAR LENS Menicon Co., Ltd. (JP) 2013-04-17 EP disclosed
EP-2514791-A1 ANTHRAQUINONE PIGMENT, OCULAR LENS MATERIAL USING SAME, OCULAR LENS MATERIAL MANUFACTURING METHOD, AND OCULAR LENS Menicon Co., Ltd. (JP) 2012-10-24 EP disclosed
US-20120148519-A1 OPHTHALMIC LENS MENICON CO., LTD. (JP) 2012-06-14 US disclosed
US-8124668-B2 Silicone-containing ocular lens material with high safety and preparing method thereof MENICON CO., LTD. (JP) 2012-02-28 US disclosed
EP-2180366-A1 Silicone-containing ocular lens material with high safety and preparing method thereof MENICON CO., LTD. (JP) 2010-04-28 EP disclosed
US-20060142410-A1 Silicone-containing ocular lens material with high safety and preparing method thereof MENICON CO., LTD. (JP) 2006-06-29 US disclosed
US-7037954-B2 Ocular lens material MENICON CO., LTD. (JP) 2006-05-02 US disclosed
EP-1582910-A1 HIGHLY SAFE SILICONE-CONTAINING MATERIAL FOR OCULAR LENS AND PROCESS FOR PRODUCING THE SAME MENICON CO., LTD. (JP) 2005-10-05 EP disclosed
EP-1197782-B1 MATERIAL FOR OCULAR LENS MENICON CO LTD (JP) 2004-06-02 EP disclosed
US-20040039077-A1 Ocular lens material MENICON CO., LTD. 2004-02-26 US disclosed
US-6638991-B2 Lens material comprising a copolymer derived from a polysiloxane endcapped with acrylated urethane groups, a silicon-containing alkyl methacrylate, a hydrophilic monomer, and a crosslinking monomer; oxygen permeability, strength MENICON CO., LTD. (JP) 2003-10-28 US disclosed
US-20020198280-A1 Material for ocular lens MENICON CO., LTD. (JP) 2002-12-26 US disclosed
EP-1197782-A1 MATERIAL FOR OCULAR LENS MENICON CO., LTD. (JP) 2002-04-17 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-20120148519-A1 OPHTHALMIC LENS AQP4, CRYAA, UACA MAOB 4288/4885PGK1 3314/4885PGK2 2976/4885
US-20130202551-A1 IONIC COMPOUND, COMPOSITION, CURED MATERIAL, HYDROGEL AND OPHTHALMIC LENS CRYZ, CRYAA, VIL1 MAOB 4250/4885PGK1 2116/4885PGK2 2562/4885

“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.