SCHEMBL18855010

SCHEMBL18855010

C=CC(=O)NCC(C)(C)COC(=O)C(=C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 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
SCHEMBL11922535 0.85 ALDH1A1 (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL21182619 0.82 ALDH1A1 (0.46) TSHRALDH1A1MAPK1TDP1THRB
SCHEMBL11920349 0.81 ALDH1A1 (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL13862879 0.81 ALDH1A1 (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
Acrylic Acid SCHEMBL11156213 0.78 TSHR (0.41) TSHRALDH1A1MAPK1TDP1THRB
SCHEMBL12358358 0.78 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL17522073 0.78 TSHR (0.38) TSHRALDH1A1MAPK1TDP1THRB
SCHEMBL17522064 0.78 ALDH1A1 (0.43) TSHRALDH1A1MAPK1TDP1THRB
SCHEMBL4789482 0.77 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL15337 0.77 TSHR (0.50) TSHRALDH1A1TDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270630-A1 COMPOSITION FOR DENTAL ATTACHMENT KURARAY NORITAKE DENTAL INC. (JP) 2023-08-31 US disclosed
US-20230270630-A1 COMPOSITION FOR DENTAL ATTACHMENT KURARAY NORITAKE DENTAL INC. (JP) 2023-08-31 US disclosed
US-11173100-B2 Multi-part dental cement KURARAY NORITAKE DENTAL INC. (JP) 2021-11-16 US disclosed
EP-3530257-B1 SELF-ADHESIVE DENTAL COMPOSITE RESIN KURARAY NORITAKE DENTAL INC (JP) 2021-09-08 EP disclosed
EP-3530258-B1 MULTI-PACK TYPE DENTAL CEMENT KURARAY NORITAKE DENTAL INC (JP) 2021-08-18 EP disclosed
US-10987281-B2 Self-adhesive dental composite resin KURARAY NORITAKE DENTAL INC. (JP) 2021-04-27 US disclosed
US-20200179237-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN KURARAY NORITAKE DENTAL INC. (JP) 2020-06-11 US disclosed
US-10456333-B2 Dental adhesive KURARAY NORITAKE DENTAL INC. (JP) 2019-10-29 US disclosed
US-20190262240-A1 MULTI-PART DENTAL CEMENT KURARAY NORITAKE DENTAL INC. (JP) 2019-08-29 US disclosed
EP-3530258-A1 MULTI-PACK TYPE DENTAL CEMENT Kuraray Noritake Dental Inc. (JP) 2019-08-28 EP disclosed
EP-3530257-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN Kuraray Noritake Dental Inc. (JP) 2019-08-28 EP disclosed
US-9844495-B2 Self-adhesive dental composite resin KURARAY NORITAKE DENTAL INC. (JP) 2017-12-19 US disclosed
US-9844495-B2 Self-adhesive dental composite resin KURARAY NORITAKE DENTAL INC. (JP) 2017-12-19 US disclosed
US-20170196778-A1 DENTAL ADHESIVE KURARAY NORITAKE DENTAL INC. (JP) 2017-07-13 US disclosed
US-20170196778-A1 DENTAL ADHESIVE KURARAY NORITAKE DENTAL INC. (JP) 2017-07-13 US disclosed
US-20170135910-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN KURARAY NORITAKE DENTAL INC. (JP) 2017-05-18 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
US-20170135909-A1 DENTAL CEMENT KURARAY NORITAKE DENTAL INC. (JP) 2017-05-18 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 (9 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-20170196778-A1 DENTAL ADHESIVE ADGRF1, ADGRE5, NR1I3 TSHR 1413/4885ALDH1A1 136/4885MAPK1 1281/4885
US-20170135910-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN ADGRF1, NR1I3, NR1D1 TSHR 1807/4885ALDH1A1 225/4885MAPK1 2396/4885
US-20190262240-A1 MULTI-PART DENTAL CEMENT ASH2L, CAD, SETDB1 TSHR 4621/4885ALDH1A1 133/4885MAPK1 1680/4885
US-11173100-B2 Multi-part dental cement ASH2L, CAD, SETDB1 TSHR 4621/4885ALDH1A1 133/4885MAPK1 1680/4885
US-20230270630-A1 COMPOSITION FOR DENTAL ATTACHMENT ITGA1, ITGA2, PPA1 TSHR 4298/4885ALDH1A1 424/4885MAPK1 2244/4885
US-10456333-B2 Dental adhesive PTK2, CDH1, CAD TSHR 4078/4885ALDH1A1 110/4885MAPK1 410/4885
US-10987281-B2 Self-adhesive dental composite resin SMCHD1, CDH1, SMC1A TSHR 1946/4885ALDH1A1 555/4885MAPK1 3723/4885
US-20200179237-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN SMCHD1, CDH1, SMC1A TSHR 1946/4885ALDH1A1 555/4885MAPK1 3723/4885
US-20170135909-A1 DENTAL CEMENT GRIN1, NR1D1, GRIA1 TSHR 1780/4885ALDH1A1 632/4885MAPK1 1425/4885

“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.