SCHEMBL714605

SCHEMBL714605

C=C(C)C(=O)OCC(C)c1ccccc1C(C)COC(=O)C(=C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
CASP1 P29466 1/20 0.41
ALDH1A1 P00352 5/20 0.41
ELANE P08246 1/20 0.39
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
KMT2A Q03164 1/20 0.35

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 0.86 TSHR (0.55) TSHRALDH1A1ELANEPOLBAPEX1
SCHEMBL5270061 0.86 TSHR (0.47) TSHRALDH1A1HTTTDP1KMT2A
SCHEMBL713937 0.84 TSHR (0.60) TSHRALDH1A1ELANETHRBPOLB
SCHEMBL721729 0.81 TSHR (0.53) TSHRALDH1A1THRBPOLBAPEX1
Acrylic Acid SCHEMBL28196913 0.80 TSHR (0.47) TSHRALDH1A1ELANEPOLBAPEX1
Carbamic Acid SCHEMBL29381974 0.80 TSHR (0.44) TSHRCASP1ALDH1A1POLBAPEX1
SCHEMBL3180135 0.79 TSHR (0.53) TSHRALDH1A1ELANEPOLBAPEX1
SCHEMBL4596309 0.77 TSHR (0.43) TSHRCASP1ALDH1A1ELANETHRB
SCHEMBL2847529 0.77 TSHR (0.51) TSHRALDH1A1ELANEPOLBAPEX1
SCHEMBL6569467 0.77 TSHR (0.51) TSHRALDH1A1ELANEPOLBAPEX1

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 19 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
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
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 (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-20120148519-A1 OPHTHALMIC LENS AQP4, CRYAA, UACA TSHR 1228/4885CASP1 4431/4885ALDH1A1 2666/4885

“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.