SCHEMBL19205816

SCHEMBL19205816

C=C(C)C(=O)OCCC(=O)ON

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.50
▸ TSHR P16473 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAPT P10636 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ EPHX1 P07099 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30

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
SCHEMBL21123062 0.87 TSHR (0.58) THRBTSHRALDH1A1TDP1POLB
SCHEMBL2466488 0.83 THRB (0.59) THRBTSHRALDH1A1TDP1POLB
SCHEMBL28411109 0.82 THRB (0.52) THRBTSHRALDH1A1TDP1POLB
SCHEMBL12270505 0.82 THRB (0.52) THRBTSHRALDH1A1TDP1POLB
SCHEMBL9615474 0.80 THRB (0.60) THRBTSHRALDH1A1TDP1POLB
SCHEMBL2779559 0.80 THRB (0.50) THRBTSHRALDH1A1TDP1POLB
SCHEMBL2463282 0.80 TSHR (0.63) THRBTSHRALDH1A1TDP1POLB
SCHEMBL2522045 0.79 THRB (0.53) THRBTSHRALDH1A1TDP1POLB
SCHEMBL28396074 0.79 TSHR (0.47) THRBTSHRALDH1A1TDP1POLB
SCHEMBL2453478 0.79 THRB (0.57) THRBTSHRALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12011490-B2 Dental photocurable composition excellent in operability and storage stability SHOFU INC. (JP) 2024-06-18 — — US disclosed
EP-3888616-B1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN COLOR TONE SELECTIVITY SHOFU INC (JP) 2024-05-15 — — EP disclosed
US-11696874-B2 Dental photocurable composition excellent in color tone selectivity SHOFU INC. (JP) 2023-07-11 — — US disclosed
US-11622917-B2 Dental photocurable composition containing high soluble photoacid generator SHOFU INC. (JP) 2023-04-11 — — US disclosed
US-11622916-B2 Photocurable composition excellent in curing depth SHOFU INC. (JP) 2023-04-11 — — US disclosed
US-20220401312-A1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN OPERABILITY AND STORAGE STABILITY SHOFU INC. (JP) 2022-12-22 — — US disclosed
US-20220387263-A1 DENTAL PHOTOCURABLE COMPOSITION HAVING EXCELLENT STORAGE STABILITY SHOFU INC. (JP) 2022-12-08 — — US disclosed
US-20220387264-A1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN STORAGE STABILITY SHOFU INC. (JP) 2022-12-08 — — US disclosed
EP-4062895-A1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN OPERABILITY AND STORAGE STABILITY Shofu Inc. (JP) 2022-09-28 — — EP disclosed
EP-4062894-A1 DENTAL PHOTOCURABLE COMPOSITION HAVING EXCELLENT STORAGE STABILITY Shofu Inc. (JP) 2022-09-28 — — EP disclosed
CN-113402666-A Dental photocurable composition with excellent color tone selectivity 株式会社松风 2021-09-17 — — CN disclosed
CN-113402657-A Photopolymerization initiator for dental photocurable composition containing aryliodonium salt 株式会社松风 2021-09-17 — — CN disclosed
CN-113402665-A Dental photocurable composition comprising highly soluble photoacid generator 株式会社松风 2021-09-17 — — CN disclosed
US-11033465-B2 Dental adhesive composition including chain transfer agent SHOFU INC. (JP) 2021-06-15 — — US disclosed
US-11000453-B2 Organic-inorganic composite filler having many reaction groups on surface and dental curable composition compounded therewith SHOFU INC. (JP) 2021-05-11 — — US disclosed
EP-3566689-B1 DENTAL ADHESIVE COMPOSITION INCLUDING CHAIN TRANSFER AGENT SHOFU INC (JP) 2021-03-17 — — EP disclosed
EP-3566689-A2 DENTAL ADHESIVE COMPOSITION INCLUDING CHAIN TRANSFER AGENT Shofu Inc. (JP) 2019-11-13 — — EP disclosed
EP-3207916-B1 SURFACE-MODIFIED ORGANIC-INORGANIC COMPOSITE FILLER FOR USE IN DENTAL CURABLE COMPOSITIONS SHOFU INC (JP) 2019-07-03 — — EP disclosed
EP-3207916-A2 ORGANIC-INORGANIC COMPOSITE FILLER HAVING MANY REACTION GROUPS ON SURFACE AND DENTAL CURABLE COMPOSITION COMPOUNDED THEREWITH Shofu Inc. (JP) 2017-08-23 — — EP disclosed
US-20170231872-A1 ORGANIC-INORGANIC COMPOSITE FILLER HAVING MANY REACTION GROUPS ON SURFACE AND DENTAL CURABLE COMPOSITION COMPOUNDED THEREWITH SHOFU INC. (JP) 2017-08-17 — — 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 (9 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-20170231872-A1 ORGANIC-INORGANIC COMPOSITE FILLER HAVING MANY REACTION GROUPS ON SURFACE AND DENTAL CURABLE COMPOSITION COMPOUNDED THEREWITH CAD, ESD, PLOD1 THRB 2528/4885TSHR 3880/4885ALDH1A1 451/4885
US-20220387264-A1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN STORAGE STABILITY H1-0, POLA1, H1-2 THRB 3906/4885TSHR 3238/4885ALDH1A1 618/4885
US-12011490-B2 Dental photocurable composition excellent in operability and storage stability H1-0, CCND1, CCNT1 THRB 3644/4885TSHR 3277/4885ALDH1A1 148/4885
US-11622917-B2 Dental photocurable composition containing high soluble photoacid generator AP2S1, AP3S1, ASIC1 THRB 3857/4885TSHR 3768/4885ALDH1A1 1008/4885
US-11622916-B2 Photocurable composition excellent in curing depth ODC1, AOC2, CCNT1 THRB 3503/4885TSHR 4023/4885ALDH1A1 74/4885
US-11696874-B2 Dental photocurable composition excellent in color tone selectivity HBG1, MARK1, KATNA1 THRB 3102/4885TSHR 4542/4885ALDH1A1 387/4885
US-11000453-B2 Organic-inorganic composite filler having many reaction groups on surface and dental curable composition compounded therewith CAD, ESD, PLOD1 THRB 2528/4885TSHR 3880/4885ALDH1A1 451/4885
US-20220401312-A1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN OPERABILITY AND STORAGE STABILITY H1-0, CCND1, CCNT1 THRB 3857/4885TSHR 3233/4885ALDH1A1 159/4885
US-20220387263-A1 DENTAL PHOTOCURABLE COMPOSITION HAVING EXCELLENT STORAGE STABILITY H1-0, H1-2, H1-4 THRB 3842/4885TSHR 3869/4885ALDH1A1 570/4885

“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.

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