SCHEMBL345781

SCHEMBL345781

C=C(C)C(=O)OCCCCOP(=O)(O)OCCCCOC(=O)C(=C)C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
THRB P10828 1/20 0.47
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.41
BTN3A1 O00481 1/20 0.41
LPAR3 Q9UBY5 4/20 0.37
LPAR2 Q9HBW0 3/20 0.37
LPAR1 Q92633 2/20 0.37
P2RY10 O00398 4/20 0.36
GPR34 Q9UPC5 2/20 0.36

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
SCHEMBL15172 0.98 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15881 0.98 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3447377 0.98 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL18140012 0.98 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7073886 0.98 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL346466 0.98 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16142 0.98 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3447994 0.98 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL18139905 0.96 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15412 0.96 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492289-B1 POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL KURARAY NORITAKE DENTAL INC (JP) 2020-03-18 EP claimed
JP-4746543-B2 2011-08-10 JP claimed
US-7700668-B2 Adhesive composition with decreased polarity upon polymerization 3M ESPE AG (DE) 2010-04-20 US claimed
US-20060270751-A1 Adhesive composition with decreased polarity upon polymerization 3M DEUTSCHLAND GMBH (DE) 2006-11-30 US claimed
EP-1498098-B1 Adhesive composition with decreased polarity upon polymerization 3M ESPE AG (DE) 2006-05-03 EP claimed
WO-2005004819-A1 ADHESIVE COMPOSITION WITH DECREASED POLARITY UPON POLYMERIZATION 3M ESPE AG (DE) 2005-01-20 WO claimed
EP-1498098-A1 Adhesive composition with decreased polarity upon polymerization 3M ESPE AG (DE) 2005-01-19 EP claimed
CN-118240176-A Polymer, aqueous polymer dispersion and use thereof in coating compositions PPG涂料(天津)有限公司 2024-06-25 CN disclosed
WO-2024053223-A1 CARIOUS TOOTH STRUCTURE RECOVERY AGENT, AND DENTAL ADHESIVE KIT クラレノリタケデンタル株式会社 2024-03-14 WO disclosed
EP-3936109-B1 SOLVENT-FREE ADHESIVE COMPOSITION FOR DENTAL USE KURARAY NORITAKE DENTAL INC (JP) 2024-02-14 EP disclosed
EP-2979679-B1 CURABLE COMPOSITION FOR DENTAL USE KURARAY NORITAKE DENTAL INC (JP) 2023-11-29 EP disclosed
US-11744782-B2 Separately packed curable composition MITSUI CHEMICALS, INC. (JP) 2023-09-05 US disclosed
US-20230270630-A1 COMPOSITION FOR DENTAL ATTACHMENT KURARAY NORITAKE DENTAL INC. (JP) 2023-08-31 US disclosed
EP-1269967-A1 Dental composition kit KURARAY CO., LTD. (JP) 2003-01-02 EP disclosed
EP-1269968-A1 Dental cement composition KURARAY CO., LTD. (JP) 2003-01-02 EP disclosed
EP-0740214-B1 Photosensitive composition and photosensitive rubber plate ZEON CORP (JP) 2002-07-10 EP disclosed
US-5863704-A BLENDS OF DIENE-AROMATIC VINYL COPOLYMER BLOCKS, PHOTOPOLYMERIZABLE ETHYLENICALLY UNSATURATED MONOMER AND PHOTOINITIATOR NIPPON ZEON COMPANY, LTD. (JP) 1999-01-26 US disclosed
US-5679485-A CURABLE ELASTIC BLEND CONTAINING HYDROPHOBIC ADDITION POLYMER HAVING PENDANT HYDROPHILIC PHOSPHATE GROUPS; AQUEOUS DEVELOPMENT OF IMAGE NIPPON ZEON CO., LTD. (JP) 1997-10-21 US disclosed
EP-0751433-A2 Release composition and photosensitive rubber plate with layer of the same NIPPON ZEON CO., LTD. (JP) 1997-01-02 EP disclosed
EP-0740214-A2 Photosensitive composition and photosensitive rubber plate NIPPON ZEON CO., LTD. (JP) 1996-10-30 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 (2 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-20230270630-A1 COMPOSITION FOR DENTAL ATTACHMENT ITGA1, ITGA2, PPA1 TSHR 4298/4885THRB 3836/4885POLB 2433/4885
US-20060270751-A1 Adhesive composition with decreased polarity upon polymerization PTK2, PHOSPHO1, ITGA1 TSHR 4650/4885THRB 3495/4885POLB 868/4885

“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.