SCHEMBL20094927

SCHEMBL20094927

C=C(C)C(=O)OCCCCOC(=O)NCC1(C)CC(NC(=O)OCCCCOC(=O)C(=C)C)CC(C)(C)C1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
EPHX1 P07099 2/20 0.39
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NAAA Q02083 4/20 0.32
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
THRB P10828 1/20 0.31
ACHE P22303 5/20 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
SCHEMBL18123399 0.99 TSHR (0.59) TSHREPHX1HTTGAAMAPK1
SCHEMBL11900914 0.95 TSHR (0.63) TSHREPHX1ALDH1A1TDP1THRB
SCHEMBL25993934 0.95 TSHR (0.63) TSHREPHX1ALDH1A1TDP1THRB
SCHEMBL25965501 0.95 TSHR (0.55) TSHREPHX1HTTGAAMAPK1
SCHEMBL24028219 0.94 TSHR (0.57) TSHREPHX1HTTGAAMAPK1
SCHEMBL18123485 0.92 TSHR (0.59) TSHREPHX1ALDH1A1TDP1THRB
SCHEMBL18123386 0.92 TSHR (0.52) TSHREPHX1HTTGAAMAPK1
SCHEMBL26822520 0.92 TSHR (0.52) TSHREPHX1
SCHEMBL19847425 0.91 TSHR (0.61) TSHREPHX1ALDH1A1TDP1THRB
SCHEMBL21034804 0.91 TSHR (0.61) TSHREPHX1ALDH1A1TDP1THRB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604318-B1 PHOSPHORUS-CONTAINING COMPOUND MITSUI CHEMICALS INC (JP) 2024-01-17 EP disclosed
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-11311462-B2 Adhesive monomers for dental materials MITSUI CHEMICALS, INC. (JP) 2022-04-26 US disclosed
US-20210378919-A1 DENTAL POLYFUNCTIONAL MONOMERS AND DENTAL HYDROXYL GROUP-CONTAINING MONOMERS MITSUI CHEMICALS, INC. (JP) 2021-12-09 US disclosed
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits MITSUI CHEMICALS, INC. (JP) 2021-09-07 US disclosed
EP-3603606-A1 ADHESIVE MONOMER FOR DENTAL MATERIAL Mitsui Chemicals, Inc. (JP) 2020-02-05 EP disclosed
EP-3604318-A1 PHOSPHORUS-CONTAINING COMPOUND Mitsui Chemicals, Inc. (JP) 2020-02-05 EP disclosed
US-20200030194-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS MITSUI CHEMICALS, INC. (JP) 2020-01-30 US disclosed
US-10470980-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits MITSUI CHEMICALS, INC. (JP) 2019-11-12 US disclosed
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS MITSUI CHEMICALS, INC. (JP) 2018-04-26 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 (7 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-20200030194-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS ACTN1, SMCHD1, CAPZA1 TSHR 4160/4885EPHX1 709/4885HTT 1901/4885
US-10470980-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits HRH3, HRH1, HRH2 TSHR 861/4885EPHX1 400/4885HTT 1247/4885
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers PAM, CAD, FHIT TSHR 2948/4885EPHX1 1774/4885HTT 849/4885
US-20210378919-A1 DENTAL POLYFUNCTIONAL MONOMERS AND DENTAL HYDROXYL GROUP-CONTAINING MONOMERS PAM, CAD, FHIT TSHR 2948/4885EPHX1 1774/4885HTT 849/4885
US-11311462-B2 Adhesive monomers for dental materials COL1A1, CDH1, GJA1 TSHR 4250/4885EPHX1 385/4885HTT 2604/4885
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits ACTN1, SMCHD1, CAPZA1 TSHR 4160/4885EPHX1 709/4885HTT 1901/4885
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS HRH3, HRH1, HRH2 TSHR 861/4885EPHX1 400/4885HTT 1247/4885

“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.