SCHEMBL674036

SCHEMBL674036

C=C(C)C(=O)OC(C)C(CC(=O)O)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 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
SCHEMBL673207 0.85 TDP1 (0.45) TSHRALDH1A1TDP1THRBALOX15
SCHEMBL4906146 0.84 TSHR (0.39) TSHRALDH1A1THRBMEN1KMT2A
SCHEMBL4908130 0.82 TSHR (0.37) TSHRALDH1A1
SCHEMBL721450 0.78 ALDH1A1 (0.43) TSHRALDH1A1THRBKMT2AALOX15
SCHEMBL15043169 0.75 TSHR (0.36) TSHRALDH1A1THRB
SCHEMBL13595128 0.74 TDP1 (0.50) TSHRTDP1KMT2AALOX15
SCHEMBL9794637 0.74 TDP1 (0.50) TSHRTDP1KMT2AALOX15
Ammonia Solution, Strong SCHEMBL28368410 0.73 TSHR (0.39) TSHRALDH1A1TDP1THRBALOX15
SCHEMBL6365126 0.73 TSHR (0.45) TSHRALDH1A1TDP1THRBALOX15
SCHEMBL1176819 0.73 TDP1 (0.44) TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255857-A1 DENTAL COMPOSITION CONTAINING ION SUSTAINED-RELEASE GLASS SHOFU INC. (JP) 2023-08-17 US disclosed
US-11648184-B2 Dental composition containing ion sustained-release glass SHOFU INC. (JP) 2023-05-16 US disclosed
US-11559471-B2 Dental composition containing ion sustained-release glass SHOFU INC. (JP) 2023-01-24 US disclosed
EP-2949311-B1 Dental composition containing ion sustained-release glass SHOFU INC (JP) 2019-10-16 EP disclosed
US-20180344579-A1 DENTAL COMPOSITION CONTAINING ION SUSTAINED-RELEASE GLASS SHOFU INC. (JP) 2018-12-06 US disclosed
US-20150342838-A1 DENTAL COMPOSITION CONTAINING ION SUSTAINED-RELEASE GLASS SHOFU INC. (JP) 2015-12-03 US disclosed
EP-2949311-A1 Dental composition containing ion sustained-release glass Shofu Inc. (JP) 2015-12-02 EP disclosed
WO-2012023454-A1 SHAPE MEMORY RESIN, ORTHODONTIC APPLIANCE USING SAME, AND METHOD FOR CONTROLLING VISCOELASTIC PROPERTY OF SHAPE MEMORY RESIN 学校法人愛知学院 (JP) 2012-02-23 WO disclosed
US-20080008679-A1 Osteoinduction-assisting composition KABUSHIKI KAISHA SHOFU (JP) 2008-01-10 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-20230255857-A1 DENTAL COMPOSITION CONTAINING ION SUSTAINED-RELEASE GLASS SLCO2B1, CA2, SLCO2A1 TSHR 1261/4885ALDH1A1 3160/4885TDP1 4656/4885
US-11559471-B2 Dental composition containing ion sustained-release glass SLCO2B1, CA2, SLCO2A1 TSHR 1261/4885ALDH1A1 3160/4885TDP1 4656/4885
US-11648184-B2 Dental composition containing ion sustained-release glass SLCO2B1, CA2, SLCO2A1 TSHR 1261/4885ALDH1A1 3160/4885TDP1 4656/4885
US-20180344579-A1 DENTAL COMPOSITION CONTAINING ION SUSTAINED-RELEASE GLASS SLCO2B1, CA2, SLCO2A1 TSHR 1261/4885ALDH1A1 3160/4885TDP1 4656/4885
US-20150342838-A1 DENTAL COMPOSITION CONTAINING ION SUSTAINED-RELEASE GLASS SLCO2B1, CA2, SLCO2A1 TSHR 1261/4885ALDH1A1 3160/4885TDP1 4656/4885

“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.