SCHEMBL1086964

SCHEMBL1086964

C=C(C)C(=O)OCCNC=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.41
ADH1B P00325 3/20 0.37
ADH1A P07327 3/20 0.37
ADH7 P40394 3/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADH1C P00326 2/20 0.34
EPHX1 P07099 1/20 0.33
ADH4 P08319 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
SCHEMBL1132490 0.91 THRB (0.58) THRBTSHRALDH1A1ADH1BADH1A
SCHEMBL14390475 0.89 TSHR (0.58) THRBTSHRALDH1A1ADH1BADH1A
SCHEMBL9313454 0.89 TSHR (0.53) THRBTSHRALDH1A1ADH1BADH1A
SCHEMBL9313460 0.87 TSHR (0.61) THRBTSHRALDH1A1ADH1BADH1A
SCHEMBL26662014 0.87 TSHR (0.61) THRBTSHRALDH1A1ADH1BADH1A
SCHEMBL5831740 0.85 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9321905 0.84 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13950019 0.82 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16378672 0.79 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5652323 0.79

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005055959-A2 BULKY MONOMERS LEADING TO RESINS EXHIBITING LOW POLYMERIZATION SHRINKAGE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-06-23 WO claimed
US-20050124721-A1 Bulky monomers leading to resins exhibiting low polymerization shrinkage E. I. DU PONT DE NEMOURS AND COMPANY 2005-06-09 US claimed
US-20040157140-A1 Photosensitive coloring composition, color filter using the composition and method of producing the same SHOWA DENKO K.K. (JP) 2004-08-12 US claimed
EP-0358774-B1 NOVEL SPIROOXAZINE COMPOUNDS TORAY INDUSTRIES (JP) 1995-10-25 EP claimed
EP-0197635-B1 ACRYLIC EMULSION COPOLYMERS FOR THICKENING AQUEOUS SYSTEMS AND COPOLYMERIZABLE SURFACTANT MONOMERS FOR USE THEREIN National Starch and Chemical Investment Holding Corporation (US) 1991-11-13 EP claimed
US-RE33008-E Acrylic emulsion copolymers for thickening aqueous systems and copolymerizable surfactant monomers for use therein ALCO CHEMICAL CORPORATION (US) 1989-08-01 US claimed
US-4818801-A IMPROVED OXYGEN PERMEABILITY; CONTACT LENSES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-04-04 US claimed
US-4743698-A UNSATURATED ISOCYANATE-POLYHYDRIC ALCOHOL (OR PRIMARY AMINE) NONIONIC SURFACTANT REACTION PRODUCTS ALCO CHEMICAL CORP. (US) 1988-05-10 US claimed
EP-0197635-A2 Acrylic emulsion copolymers for thickening aqueous systems and copolymerizable surfactant monomers for use therein National Starch and Chemical Investment Holding Corporation (US) 1986-10-15 EP claimed
US-4600761-A DISARMING A BOMB;SAFETY DEVICE ALCO CHEMICAL CORPORATION (US) 1986-07-15 US claimed
EP-2608767-B1 POLYMER COMPOSITIONS AND METHODS SAUDI ARAMCO TECH CO (SA) 2023-07-26 EP disclosed
US-11649195-B2 Smart release nitrogen-containing fertilizer granules Rynan Technologies Pte Ltd. (SG) 2023-05-16 US disclosed
WO-2022158555-A1 THERMOSETTING LIQUID CRYSTAL COMPOSITION HAVING PHOTO-ALIGNING CHARACTERISTICS, RETARDATION FILM ALSO SERVING AS ALIGNMENT MEMBRANE AND METHOD FOR MANUFACTURING SAME, RETARDATION PLATE AND METHOD FOR MANUFACTURING SAME, OPTICAL MEMBER AND METHOD FOR MANUFACTURING SAME, AND DISPLAY DEVICE 大日本印刷株式会社 2022-07-28 WO disclosed
US-20220220308-A1 POLYAMIDE-IMIDE BLOCK COPOLYMERS, PREPARATION METHOD THEREOF AND POLYAMIDE-IMIDE FILM COMPRISING THE SAME LG CHEM, LTD. (KR) 2022-07-14 US disclosed
US-11198751-B2 Silicone hydrogel contact lenses and method for manufacturing the same PEGAVISION CORPORATION (TW) 2021-12-14 US disclosed
US-4543398-A Ophthalmic devices fabricated from urethane acrylates of polysiloxane alcohols MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-09-24 US disclosed
EP-0137634-A2 Curable epoxy compositions and cured resins obtained therefrom MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-04-17 EP disclosed
EP-0127321-A1 Ophthalmic devices fabricated from urethane acrylates of polysiloxane alcohols MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-12-05 EP disclosed
US-4440918-A OXYGEN PERMEABILITY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-04-03 US disclosed
EP-0084406-A1 Ophthalmic device comprising a polymer of a telechelic perfluoropolyether MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-07-27 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-20050124721-A1 Bulky monomers leading to resins exhibiting low polymerization shrinkage REV1, TERB1, RAD51 THRB 4766/4885TSHR 4811/4885ALDH1A1 855/4885

“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.