SCHEMBL721729

SCHEMBL721729

C=C(C)C(=O)OCC(C)c1cccc(C(C)COC(=O)C(=C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL296808 0.89 TSHR (0.55) TSHRPOLBAPEX1HTTTDP1
SCHEMBL713937 0.86 TSHR (0.60) TSHRPOLBAPEX1HTTTDP1
Acrylic Acid SCHEMBL28196913 0.82 TSHR (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL714605 0.81 TSHR (0.58) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16232460 0.79 TSHR (0.51) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3180135 0.78 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28516593 0.77 ALDH1A1 (0.46) TSHRALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL5270061 0.76 TSHR (0.47) TSHRHTTTDP1ALDH1A1HPGD
SCHEMBL1685754 0.75 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22566613 0.75 TSHR (0.46) TSHRPOLBAPEX1HTTTDP1

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 21 patents — showing the first 20. 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
EP-2453293-A1 OPHTHALMIC LENS Menicon Co., Ltd. (JP) 2012-05-16 EP 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
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
US-5587445-A Highly oxygen-permeable heat-resistant material MENICON CO., LTD. (JP) 1996-12-24 US disclosed
US-5556929-A FROM UNSATURATED DIESTER WITH URETHANE AND FLUORINE GROUPS AND ACRYLATED SILOXANE, CONTACT LENSES MENICON CO., LTD. (JP) 1996-09-17 US 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 TSHR 1228/4885HDAC4 154/4885HDAC2 668/4885
US-20130202551-A1 IONIC COMPOUND, COMPOSITION, CURED MATERIAL, HYDROGEL AND OPHTHALMIC LENS CRYZ, CRYAA, VIL1 TSHR 4720/4885HDAC4 1731/4885HDAC2 2248/4885

“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.