SCHEMBL19010223

SCHEMBL19010223

C=CC(=O)OCCOC(=O)NCC1CC2CCC1C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 2/20 0.33
ADORA2A P29274 1/20 0.33
EPHX2 P34913 2/20 0.33
THRB P10828 2/20 0.32
SIRT5 Q9NXA8 1/20 0.32

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
SCHEMBL19847495 1.00 TSHR (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19010229 0.96 TSHR (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL16380407 0.95 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL20905971 0.88 ADORA2A (0.35) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL20089028 0.86 ALDH1A1 (0.43) ALDH1A1TP53HIF1ACYP3A4MEN1
SCHEMBL18567444 0.85 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13714925 0.85 EPHX2 (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18563808 0.84 TSHR (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL20089024 0.84 TSHR (0.35) TSHRALDH1A1MEN1NPC1RAB9A
SCHEMBL19010225 0.82 TSHR (0.42) TSHRALDH1A1MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036025-B2 Bio-electrode, method for manufacturing bio-electrode, and method for measuring biological signal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-12036025-B2 Bio-electrode, method for manufacturing bio-electrode, and method for measuring biological signal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers MITSUI CHEMICALS, INC. (JP) 2023-10-17 US disclosed
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers MITSUI CHEMICALS, INC. (JP) 2023-10-17 US disclosed
EP-3984456-B1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, POLYMER COMPOUND, AND COMPOSITE SHINETSU CHEMICAL CO (JP) 2023-08-23 EP disclosed
US-11530312-B2 Stretchable wiring film and method for forming the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-12-20 US disclosed
US-11530307-B2 Stretchable film and method for forming the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-12-20 US disclosed
US-20220220313-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-07-14 US disclosed
US-20210378919-A1 DENTAL POLYFUNCTIONAL MONOMERS AND DENTAL HYDROXYL GROUP-CONTAINING MONOMERS MITSUI CHEMICALS, INC. (JP) 2021-12-09 US disclosed
US-20210371663-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-12-02 US disclosed
US-20180134860-A1 STRETCHABLE FILM, METHOD FOR FORMING THE SAME, STRETCHABLE WIRING FILM, AND METHOD FOR MANUFACTURING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-17 US disclosed
US-20180134860-A1 STRETCHABLE FILM, METHOD FOR FORMING THE SAME, STRETCHABLE WIRING FILM, AND METHOD FOR MANUFACTURING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-17 US disclosed
US-20180118915-A1 STRETCHABLE FILM, METHOD FOR FORMING THE SAME, STRETCHABLE WIRING FILM, AND METHOD FOR MANUFACTURING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-03 US disclosed
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS MITSUI CHEMICALS, INC. (JP) 2018-04-26 US disclosed
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS MITSUI CHEMICALS, INC. (JP) 2018-04-26 US disclosed
US-20170335076-A1 STRETCHABLE FILM AND METHOD FOR FORMING THE SAME, METHOD FOR MANUFACTURING COATED WIRING SUBSTRATE, AND STRETCHABLE WIRING FILM AND METHOD FOR MANUFACTURING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-11-23 US disclosed
US-20170335076-A1 STRETCHABLE FILM AND METHOD FOR FORMING THE SAME, METHOD FOR MANUFACTURING COATED WIRING SUBSTRATE, AND STRETCHABLE WIRING FILM AND METHOD FOR MANUFACTURING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-11-23 US disclosed
US-20170181932-A1 DENTAL POLYMERIZABLE MONOMER COMPOSITIONS MITSUI CHEMICALS, INC. (JP) 2017-06-29 US disclosed
US-20170174621-A1 DENTAL POLYMERIZABLE MONOMERS MITSUI CHEMICALS, INC. (JP) 2017-06-22 US disclosed
US-20170174621-A1 DENTAL POLYMERIZABLE MONOMERS MITSUI CHEMICALS, INC. (JP) 2017-06-22 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 (5 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-20170181932-A1 DENTAL POLYMERIZABLE MONOMER COMPOSITIONS CAD, SMCHD1, ACR TSHR 4078/4885ALDH1A1 274/4885TP53 3927/4885
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers PAM, CAD, FHIT TSHR 2948/4885ALDH1A1 1173/4885TP53 2612/4885
US-20210378919-A1 DENTAL POLYFUNCTIONAL MONOMERS AND DENTAL HYDROXYL GROUP-CONTAINING MONOMERS PAM, CAD, FHIT TSHR 2948/4885ALDH1A1 1173/4885TP53 2612/4885
US-20170174621-A1 DENTAL POLYMERIZABLE MONOMERS CAD, SMCHD1, SDAD1 TSHR 4774/4885ALDH1A1 357/4885TP53 3960/4885
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS HRH3, HRH1, HRH2 TSHR 861/4885ALDH1A1 394/4885TP53 3656/4885

“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.