SCHEMBL19472467

SCHEMBL19472467

C=CC(=O)N(CC)CC1CCC(CN(CC)C(=O)C=C)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ZDHHC20 Q5W0Z9 2/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
ALOX5 P09917 1/20 0.35
MLYCD O95822 1/20 0.34
TSHR P16473 1/20 0.32
PSMB5 P28074 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL18457812 0.92 PLG (0.38) ALDH1A1PKMTHRATHRBZDHHC20
SCHEMBL19479961 0.86 ZDHHC20 (0.43) ALDH1A1PKMTHRATHRBZDHHC20
SCHEMBL19622368 0.82 THRA (0.30) THRATHRB
SCHEMBL21335859 0.80 MAPT (0.33) THRATHRB
SCHEMBL14880 0.79
SCHEMBL2413777 0.78 ALOX5 (0.46) ALOX5
SCHEMBL3116394 0.78 ALDH1A1 (0.36) ALDH1A1ZDHHC20ZDHHC2TSHRPSMB5
SCHEMBL21350939 0.77 MAPT (0.32)
Ammonia Solution, Strong SCHEMBL28481040 0.77 ZDHHC20 (0.43) ALDH1A1ZDHHC20ZDHHC2TSHRPSMB5
SCHEMBL17472047 0.75 ALDH1A1 (0.41) ALDH1A1PKMALOX5MLYCD

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857650-B2 Dental composition comprising a dental filler containing a structural filler and silanated glass flakes DENTSPLY SIRONA INC. (US) 2024-01-02 US disclosed
US-11857650-B2 Dental composition comprising a dental filler containing a structural filler and silanated glass flakes DENTSPLY SIRONA INC. (US) 2024-01-02 US disclosed
US-20220202658-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2022-06-30 US disclosed
US-20220031576-A1 ADDITIVE MANUFACTURING PROCESS DENTSPLY SIRONA INC. (US) 2022-02-03 US disclosed
US-20220000721-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DENTSPLY SIRONA INC. (US) 2022-01-06 US disclosed
US-11166883-B2 Dental composition DENTSPLY SIRONA INC. (US) 2021-11-09 US disclosed
US-11141357-B2 Dental adhesive DENTSPLY SIRONA INC. (US) 2021-10-12 US disclosed
US-11116702-B2 Dental composition DENTSPLY SIRONA INC. (US) 2021-09-14 US disclosed
US-11110039-B2 Macromonomer based light-curable dental impression material DENTSPLY SIRONA INC. (US) 2021-09-07 US disclosed
US-20210137795-A1 DENTAL ADHESIVE DENTSPLY SIRONA INC. (US) 2021-05-13 US disclosed
US-20190231648-A1 DENTAL COMPOSITION COMPRISING A DENTAL FILLER CONTAINING A STRUCTURAL FILLER AND SILANATED GLASS FLAKES DENTSPLY SIRONA INC. (US) 2019-08-01 US disclosed
US-10272017-B2 Aqueous dental glass ionomer composition DENTSPLY SIRONA INC. (US) 2019-04-30 US disclosed
US-20190117522-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2019-04-25 US disclosed
US-20180221249-A1 DENTAL ADHESIVE DENTSPLY SIRONA INC. (US) 2018-08-09 US disclosed
US-20180221249-A1 DENTAL ADHESIVE DENTSPLY SIRONA INC. (US) 2018-08-09 US disclosed
US-20180214351-A1 DENTAL ADHESIVE DENTSPLY SIRONA INC. (US) 2018-08-02 US disclosed
US-20170296442-A1 AQUEOUS DENTAL GLASS IONOMER COMPOSITION DENTSPLY SIRONA INC. (US) 2017-10-19 US disclosed
US-20170296441-A1 AQUEOUS DENTAL GLASS IONOMER COMPOSITION DENTSPLY SIRONA INC. (US) 2017-10-19 US disclosed
US-20170296441-A1 AQUEOUS DENTAL GLASS IONOMER COMPOSITION DENTSPLY SIRONA INC. (US) 2017-10-19 US disclosed
US-20170296442-A1 AQUEOUS DENTAL GLASS IONOMER COMPOSITION DENTSPLY SIRONA INC. (US) 2017-10-19 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 (16 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-20190117522-A1 DENTAL COMPOSITION MSR1, TAS2R3, TAS2R39 ALDH1A1 3077/4885PKM 2427/4885THRA 1133/4885
US-20170296441-A1 AQUEOUS DENTAL GLASS IONOMER COMPOSITION GLUL, GDA, PHAX ALDH1A1 1935/4885PKM 1474/4885THRA 2150/4885
US-11141357-B2 Dental adhesive CDH1, ITGA5, ICAM1 ALDH1A1 404/4885PKM 4810/4885THRA 2933/4885
US-20180221249-A1 DENTAL ADHESIVE CDH1, F12, ITGA8 ALDH1A1 119/4885PKM 1978/4885THRA 1095/4885
US-20220202658-A1 DENTAL COMPOSITION CAD, PHOSPHO1, PLA2G2C ALDH1A1 2211/4885PKM 1519/4885THRA 3714/4885
US-20220000721-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DUOX2, DUOX1, QSOX1 ALDH1A1 541/4885PKM 4003/4885THRA 3004/4885
US-20170296442-A1 AQUEOUS DENTAL GLASS IONOMER COMPOSITION COG1, GDA, COG2 ALDH1A1 2568/4885PKM 3522/4885THRA 2223/4885
US-11110039-B2 Macromonomer based light-curable dental impression material EPM2A, LMNB1, LMNB2 ALDH1A1 1272/4885PKM 3423/4885THRA 2043/4885
US-20210137795-A1 DENTAL ADHESIVE CDH1, ITGA5, ICAM1 ALDH1A1 404/4885PKM 4810/4885THRA 2933/4885
US-11857650-B2 Dental composition comprising a dental filler containing a structural filler and silanated glass flakes DHX35, DHX30, FLNA ALDH1A1 2605/4885PKM 4383/4885THRA 3408/4885
US-11116702-B2 Dental composition MTR, CAD, PAM ALDH1A1 1171/4885PKM 2006/4885THRA 1381/4885
US-20190231648-A1 DENTAL COMPOSITION COMPRISING A DENTAL FILLER CONTAINING A STRUCTURAL FILLER AND SILANATED GLASS FLAKES DHX35, DHX30, FLNA ALDH1A1 2605/4885PKM 4383/4885THRA 3408/4885
US-11166883-B2 Dental composition MSR1, TAS2R3, TAS2R39 ALDH1A1 3077/4885PKM 2427/4885THRA 1133/4885
US-20180214351-A1 DENTAL ADHESIVE CDH1, ITGA5, ICAM1 ALDH1A1 404/4885PKM 4810/4885THRA 2933/4885
US-10272017-B2 Aqueous dental glass ionomer composition COG1, GDA, COG2 ALDH1A1 2568/4885PKM 3522/4885THRA 2223/4885
US-20220031576-A1 ADDITIVE MANUFACTURING PROCESS FLNA, FLNB, SAMM50 ALDH1A1 1755/4885PKM 2486/4885THRA 1104/4885

“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.