SCHEMBL2838449

SCHEMBL2838449

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nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
PDE4A P27815 1/20 0.32
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP2 O75604 1/20 0.30
SLCO1B1 Q9Y6L6 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
SCHEMBL730372 0.95 TSHR (0.47) TSHRTHRBALDH1A1TDP1PDE4A
SCHEMBL2846558 0.95 TSHR (0.47) TSHRTHRBALDH1A1TDP1PDE4A
SCHEMBL1901317 0.90 TSHR (0.52) TSHRTHRBALDH1A1TDP1
SCHEMBL2594005 0.90 TSHR (0.52) TSHRTHRBALDH1A1TDP1
SCHEMBL10909680 0.89 TSHR (0.45) TSHRTHRBALDH1A1TDP1
SCHEMBL60716 0.89 TSHR (0.45) TSHRTHRBALDH1A1TDP1
E968 SCHEMBL6131185 0.84 TSHR (0.41) TSHRTDP1
SCHEMBL14816371 0.84 TSHR (0.46) TSHRTHRBALDH1A1TDP1
SCHEMBL60549 0.84 TSHR (0.46) TSHRTHRBALDH1A1TDP1
SCHEMBL3678816 0.83 TSHR (0.52) TSHRTHRBALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106413666-B Dental cement 可乐丽则武齿科株式会社 2020-07-28 CN disclosed
CN-106456452-B Self-adhesive dental composite resin 可乐丽则武齿科株式会社 2020-01-31 CN disclosed
US-10123947-B2 Dental cement KURARAY NORITAKE DENTAL INC (JP) 2018-11-13 US disclosed
US-9844495-B2 Self-adhesive dental composite resin KURARAY NORITAKE DENTAL INC. (JP) 2017-12-19 US disclosed
US-20170135910-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN KURARAY NORITAKE DENTAL INC. (JP) 2017-05-18 US disclosed
US-20170135909-A1 DENTAL CEMENT KURARAY NORITAKE DENTAL INC. (JP) 2017-05-18 US disclosed
EP-3156034-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN Kuraray Noritake Dental Inc. (JP) 2017-04-19 EP disclosed
EP-3156032-A1 DENTAL CEMENT Kuraray Noritake Dental Inc. (JP) 2017-04-19 EP disclosed
EP-2108664-B1 DENTAL COMPOSITION KURARAY NORITAKE DENTAL INC (JP) 2016-11-16 EP disclosed
US-20100130682-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION, AND DENTAL MATERIAL KURARAY MEDICAL INC. (JP) 2010-05-27 US disclosed
US-20100048762-A1 COMPOSITION AND DENTAL MATERIAL KURARAY MEDICAL INC. (JP) 2010-02-25 US disclosed
US-20100048761-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION KURARAY MEDICAL INC. (JP) 2010-02-25 US disclosed
US-20100036075-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION KURARAY MEDICAL INC. (JP) 2010-02-11 US disclosed
EP-2112178-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION Kuraray Medical Inc. (JP) 2009-10-28 EP disclosed
EP-2112177-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION Kuraray Medical Inc. (JP) 2009-10-28 EP disclosed
EP-2108663-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
EP-2108664-A1 COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
US-6894144-B1 Two-constituent elastomer materials based on alkyl aziridine comprising a catalyst constituent that contains a boric acid complex 3M ESPE AG (DE) 2005-05-17 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 (6 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-20100048761-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION WDR82, PWWP2B, WDR5 TSHR 4883/4885THRB 4280/4885ALDH1A1 2410/4885
US-10123947-B2 Dental cement GRIN1, NR1D1, GRIA1 TSHR 1780/4885THRB 570/4885ALDH1A1 632/4885
US-20170135910-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN ADGRF1, NR1I3, NR1D1 TSHR 1807/4885THRB 532/4885ALDH1A1 225/4885
US-20100048762-A1 COMPOSITION AND DENTAL MATERIAL PHOSPHO1, PDS5B, ITGB5 TSHR 4802/4885THRB 2986/4885ALDH1A1 717/4885
US-20100130682-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION, AND DENTAL MATERIAL SMCHD1, MLEC, PGA5 TSHR 4786/4885THRB 4316/4885ALDH1A1 3709/4885
US-20170135909-A1 DENTAL CEMENT GRIN1, NR1D1, GRIA1 TSHR 1780/4885THRB 570/4885ALDH1A1 632/4885

“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.