SCHEMBL674035

SCHEMBL674035

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KMT2A Q03164 1/20 0.35
FOLH1 Q04609 1/20 0.32
ALOX15 P16050 1/20 0.31
BMP1 P13497 1/20 0.31
MME P08473 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
SCHEMBL159197 0.87 FOLH1 (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4906144 0.86 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4908128 0.83 TSHR (0.41) THRBTSHRALDH1A1POLBAPEX1
Itaconate SCHEMBL28181572 0.81 FOLH1 (0.38) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3263232 0.80 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18492409 0.79 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2395161 0.78 THRB (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10475789 0.78 ALDH1A1 (0.45) TSHRALDH1A1POLBAPEX1HTT
SCHEMBL7672706 0.78 ALDH1A1 (0.60) THRBTSHRALDH1A1POLBAPEX1
Ammonia Solution, Strong SCHEMBL18492401 0.78 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1

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 THRB 862/4885TSHR 1261/4885ALDH1A1 3160/4885
US-11559471-B2 Dental composition containing ion sustained-release glass SLCO2B1, CA2, SLCO2A1 THRB 862/4885TSHR 1261/4885ALDH1A1 3160/4885
US-11648184-B2 Dental composition containing ion sustained-release glass SLCO2B1, CA2, SLCO2A1 THRB 862/4885TSHR 1261/4885ALDH1A1 3160/4885
US-20180344579-A1 DENTAL COMPOSITION CONTAINING ION SUSTAINED-RELEASE GLASS SLCO2B1, CA2, SLCO2A1 THRB 862/4885TSHR 1261/4885ALDH1A1 3160/4885
US-20150342838-A1 DENTAL COMPOSITION CONTAINING ION SUSTAINED-RELEASE GLASS SLCO2B1, CA2, SLCO2A1 THRB 862/4885TSHR 1261/4885ALDH1A1 3160/4885

“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.