SCHEMBL18855009

SCHEMBL18855009

C=CC(=O)NCCCCCOC(=O)C(=C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
ZDHHC20 Q5W0Z9 1/20 0.56
ZDHHC2 Q9UIJ5 1/20 0.56
TGM2 P21980 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.41
ACHE P22303 11/20 0.40
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL17347983 1.00 TSHR (0.56) TSHRZDHHC20ZDHHC2TGM2TDP1
SCHEMBL17347982 0.98 TSHR (0.53) TSHRZDHHC20ZDHHC2TGM2TDP1
SCHEMBL17345313 0.94 TSHR (0.50) TSHRZDHHC20ZDHHC2TGM2TDP1
SCHEMBL21496227 0.91 TSHR (0.47) TSHRZDHHC20ZDHHC2TGM2TDP1
SCHEMBL3818410 0.87 THRB (0.46) TSHRZDHHC20ZDHHC2TGM2TDP1
SCHEMBL16805863 0.87 ZDHHC20 (0.56) TSHRZDHHC20ZDHHC2TGM2TDP1
SCHEMBL7745652 0.86 ZDHHC20 (0.56) TSHRZDHHC20ZDHHC2ACHE
SCHEMBL23983133 0.85 TGM2 (0.44) TSHRZDHHC20ZDHHC2TGM2ACHE
SCHEMBL9485045 0.85 ZDHHC20 (0.61) TSHRZDHHC20ZDHHC2TGM2TDP1
1,6-Hexanediol SCHEMBL10596781 0.85 TSHR (0.45) TSHRZDHHC20ZDHHC2TGM2TDP1

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 16 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
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
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 1413/4885ZDHHC20 2242/4885ZDHHC2 1937/4885
US-20170135910-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN ADGRF1, NR1I3, NR1D1 TSHR 1807/4885ZDHHC20 1439/4885ZDHHC2 1533/4885
US-20190262240-A1 MULTI-PART DENTAL CEMENT ASH2L, CAD, SETDB1 TSHR 4621/4885ZDHHC20 4305/4885ZDHHC2 3368/4885
US-11173100-B2 Multi-part dental cement ASH2L, CAD, SETDB1 TSHR 4621/4885ZDHHC20 4305/4885ZDHHC2 3368/4885
US-20230270630-A1 COMPOSITION FOR DENTAL ATTACHMENT ITGA1, ITGA2, PPA1 TSHR 4298/4885ZDHHC20 3318/4885ZDHHC2 3019/4885
US-10456333-B2 Dental adhesive PTK2, CDH1, CAD TSHR 4078/4885ZDHHC20 4116/4885ZDHHC2 4379/4885
US-10987281-B2 Self-adhesive dental composite resin SMCHD1, CDH1, SMC1A TSHR 1946/4885ZDHHC20 4046/4885ZDHHC2 4047/4885
US-20200179237-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN SMCHD1, CDH1, SMC1A TSHR 1946/4885ZDHHC20 4046/4885ZDHHC2 4047/4885
US-20170135909-A1 DENTAL CEMENT GRIN1, NR1D1, GRIA1 TSHR 1780/4885ZDHHC20 2324/4885ZDHHC2 2401/4885

“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.