SCHEMBL4108307

SCHEMBL4108307

C=C(C)C(=O)OC(CC)C[O]

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL440616 0.89 TSHR (0.45) TSHRALDH1A1THRB
Ammonia Solution, Strong SCHEMBL27784925 0.87 TSHR (0.43) TSHRALDH1A1THRB
Methylamine SCHEMBL27627991 0.85 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL159608 0.83 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL15751384 0.83 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL9580312 0.82 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL440084 0.82 ALDH1A1 (0.43) TSHRALDH1A1THRB
SCHEMBL11134693 0.82 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL19610234 0.81 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL15477607 0.81 TSHR (0.36) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864645-B1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES KURARAY NORITAKE DENTAL INC (JP) 2013-05-22 EP disclosed
US-20090068123-A1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES KURARAY MEDICAL INC (JP) 2009-03-12 US disclosed
EP-1864645-A1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES Kuraray Medical Inc. (JP) 2007-12-12 EP disclosed
EP-1346717-B1 One-bottle dental bonding composition DENTSPLY SANKIN K K (JP) 2007-05-23 EP disclosed
US-7129281-B2 One-bottle dental bonding composition DENTSPLY-SANKIN K.K. (JP) 2006-10-31 US disclosed
EP-1402872-A1 Light-curable dental adhesive composition DENTSPLY-SANKIN K.K. (JP) 2004-03-31 EP disclosed
US-20040054028-A1 Light-curable dental adhesive composition HATTORI NOBUYUKI (JP) 2004-03-18 US disclosed
US-20030187092-A1 One-bottle dental bonding composition DENTSPLY-SANKIN K.K. (JP) 2003-10-02 US disclosed
EP-1346717-A1 One-bottle dental bonding composition DENTSPLY-SANKIN K.K. (JP) 2003-09-24 EP disclosed
US-4855282-A Recording material and method for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1989-08-08 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 (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-20090068123-A1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES ITGA5, ITGAL, PHOSPHO1 TSHR 1780/4885ALDH1A1 3682/4885THRB 2470/4885

“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.