SCHEMBL16706192

SCHEMBL16706192

C=C(C)C(=O)OCCOCCOC#N

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.59
TSHR P16473 7/20 0.44
ALDH1A1 P00352 6/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL21300084 1.00 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1644791 0.94 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28439467 0.88 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1
Water SCHEMBL27671456 0.87 THRB (0.76) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL7157722 0.84 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL22166147 0.84 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5959895 0.84 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4950550 0.84 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9485961 0.84 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2367616 0.84 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1

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
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers MITSUI CHEMICALS, INC. (JP) 2023-10-17 US disclosed
EP-3603607-B1 MULTIFUNCTIONAL MONOMER FOR DENTAL MATERIAL, AND HYDROXYL GROUP-CONTAINING MONOMER FOR DENTAL MATERIAL MITSUI CHEMICALS INC (JP) 2023-09-20 EP disclosed
US-20220195103-A1 POLYMER, CURABLE COMPOSITION, AND CURED SUBSTANCE FUJIFILM CORPORATION (JP) 2022-06-23 US disclosed
WO-2021020499-A1 CURABLE RESIN COMPOSITION, ELASTOMER AND SHEET 大阪有機化学工業株式会社 2021-02-04 WO disclosed
US-20200166842-A1 PHOTOSENSITIVE RESIN COMPOSITION AND CURED FILM LG CHEM, LTD. (KR) 2020-05-28 US disclosed
US-9958578-B2 Composition for manufacturing contact lenses and method for manufacturing contact lenses by using the same BENQ MATERIALS CORPORATION (TW) 2018-05-01 US disclosed
US-20180024273-A1 COMPOSITION FOR MANUFACTURING CONTACT LENSES BENQ MATERIALS CORPORATION (TW) 2018-01-25 US disclosed
US-9804297-B2 Material for contact lenses, method for manufacturing contact lenses and contact lenses obtained thereby BENQ MATERIALS CORPORATION (TW) 2017-10-31 US disclosed
WO-2017132380-A1 POLYMERIC DISPERSANTS CONTAINING MULTI-AMINE GROUPS WITH IMPROVED CHEMICAL AND THERMAL STABILITY LUBRIZOL ADVANCED MATERIALS, INC. (US) 2017-08-03 WO disclosed
US-9703009-B2 Material for contact lenses, contact lenses and method of forming the same BENQ MATERIALS CORPORATION (TW) 2017-07-11 US disclosed
EP-2873673-B1 Silicone compound and a use thereof SHINETSU CHEMICAL CO (JP) 2017-06-28 EP disclosed
US-20170168197-A1 COMPOSITION FOR MANUFACTURING CONTACT LENSES AND METHOD FOR MANUFACTUGING CONTACT LENSES BY USING THE SAME BENQ MATERIALS CORPORATION (TW) 2017-06-15 US disclosed
US-9583788-B2 Nonaqueous electrolytic solution and energy storage device using same UBE INDUSTRIES, LTD. (JP) 2017-02-28 US disclosed
US-20160370504-A1 MATERIAL FOR CONTACT LENSES, METHOD FOR MANUFACTURING CONTACT LENSES AND CONTACT LENSES OBTAINED THEREBY BENQ MATERIALS CORPORATION (TW) 2016-12-22 US disclosed
US-20160370503-A1 MATERIAL FOR CONTACT LENSES, CONTACT LENSES AND METHOD OF FORMING THE SAME BENQ MATERIALS CORPORATION (TW) 2016-12-22 US disclosed
US-9284338-B2 Silicone compound and a use thereof SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-03-15 US disclosed
US-9266985-B2 Silicone compound and a use thereof SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-02-23 US disclosed
US-20150361113-A1 SILICONE COMPOUND AND A USE THEREOF SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-12-17 US disclosed
US-20150133619-A1 SILICONE COMPOUND AND A USE THEREOF SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-05-14 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 (3 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-20150361113-A1 SILICONE COMPOUND AND A USE THEREOF SMCHD1, FEM1B, AFF1 THRB 2033/4885TSHR 2607/4885ALDH1A1 1416/4885
US-20150133619-A1 SILICONE COMPOUND AND A USE THEREOF STIM1, SMCHD1, SHC1 THRB 2607/4885TSHR 3917/4885ALDH1A1 1799/4885
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers PAM, CAD, FHIT THRB 873/4885TSHR 2948/4885ALDH1A1 1173/4885

“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.