SCHEMBL2064033

SCHEMBL2064033

CCCCOc1ccc(Bc2ccc(OCCCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.55
NR5A1 Q13285 1/20 0.53
CYP2D6 P10635 3/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
RAB9A P51151 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP19A1 P11511 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL2063168 0.94 NR5A1 (0.63) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL26850 0.85 LTA4H (0.70) LTA4HNR5A1CYP2D6CYP3A4TSHR
1-Butyloxy-4-Propoxybenzene SCHEMBL23828869 0.80 LTA4H (0.64) LTA4HNR5A1CYP2D6CYP3A4TSHR
1,4-Dipropoxybenzene SCHEMBL10846150 0.80 LTA4H (0.64) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL3727389 0.80 NR5A1 (0.75) LTA4HNR5A1CYP2D6CYP3A4TSHR
1-Butyloxy-4-Pentoxybenzene SCHEMBL12827001 0.80 NR5A1 (0.75) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL5473083 0.78 NR5A1 (0.79) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL11095674 0.78 NR5A1 (0.79) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL9151170 0.78 CYP2D6 (0.76) LTA4HNR5A1CYP2D6CYP3A4RAB9A
SCHEMBL8936597 0.78 NR5A1 (0.79) LTA4HNR5A1TSHRRAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240164993-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME KURARAY NORITAKE DENTAL INC. (JP) 2024-05-23 US disclosed
US-20230381066-A1 DENTAL CURABLE COMPOSITION HAVING GOOD COLOR COMPATIBILITY KURARAY NORITAKE DENTAL INC. (JP) 2023-11-30 US disclosed
EP-4268791-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME Kuraray Noritake Dental Inc. (JP) 2023-11-01 EP disclosed
EP-4238546-A1 DENTAL CURABLE COMPOSITION HAVING GOOD COLOR COMPATIBILITY Kuraray Noritake Dental Inc. (JP) 2023-09-06 EP disclosed
US-20230049373-A1 PASTE-LIKE COMPOSITION FOR DENTAL USE, AND METHOD FOR PRODUCING THE SAME KURARAY NORITAKE DENTAL INC. (JP) 2023-02-16 US disclosed
EP-3782598-B1 ADHESIVE COMPOSITION FOR DENTAL USE KURARAY NORITAKE DENTAL INC (JP) 2023-02-15 EP disclosed
US-20230040426-A1 DENTAL RESTORATION MATERIAL COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2023-02-09 US disclosed
US-11547639-B2 Dental composition containing platinum nanoparticles KURARAY NORITAKE DENTAL INC. (JP) 2023-01-10 US disclosed
EP-3900694-A1 DENTAL ADHESIVE COMPOSITION Kuraray Noritake Dental Inc. (JP) 2021-10-27 EP disclosed
US-20210145701-A1 ADHESIVE COMPOSITION FOR DENTAL USE KURARAY NORITAKE DENTAL INC. (JP) 2021-05-20 US disclosed
EP-3782598-A1 ADHESIVE COMPOSITION FOR DENTAL USE Kuraray Noritake Dental Inc. (JP) 2021-02-24 EP disclosed
US-20200390661-A1 DENTAL COMPOSITION CONTAINING PLATINUM NANOPARTICLES KURARAY NORITAKE DENTAL INC. (JP) 2020-12-17 US disclosed
EP-3725288-A1 DENTAL COMPOSITION CONTAINING PLATINUM NANOPARTICLES Kuraray Noritake Dental Inc. (JP) 2020-10-21 EP disclosed
EP-2070935-B1 NOVEL COMPOUND, COMPOSITION COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF POLYMERIZABLE AMIDE KURARAY NORITAKE DENTAL INC (JP) 2015-01-07 EP disclosed
US-8148571-B2 Compound, composition comprising the same, and process for production of polymerizable amide KURARAY MEDICAL INC. (JP) 2012-04-03 US disclosed
US-20100076157-A1 NOVEL COMPOUND, COMPOSITION COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF POLYMERIZABLE AMIDE KURARAY MEDICAL INC. (JP) 2010-03-25 US disclosed
EP-2070935-A1 NOVEL COMPOUND, COMPOSITION COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF POLYMERIZABLE AMIDE Kuraray Medical Inc. (JP) 2009-06-17 EP 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-20230040426-A1 DENTAL RESTORATION MATERIAL COMPOSITION CAD, MAT2B, RER1 LTA4H 859/4885NR5A1 2816/4885CYP2D6 1800/4885
US-20100076157-A1 NOVEL COMPOUND, COMPOSITION COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF POLYMERIZABLE AMIDE H1-0, H1-4, H1-2 LTA4H 2741/4885NR5A1 1973/4885CYP2D6 1023/4885
US-20230049373-A1 PASTE-LIKE COMPOSITION FOR DENTAL USE, AND METHOD FOR PRODUCING THE SAME PFN1, XRN2, FLNA LTA4H 2745/4885NR5A1 4656/4885CYP2D6 4286/4885
US-20240164993-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME MSL1, ITGA1, ASH2L LTA4H 2806/4885NR5A1 1750/4885CYP2D6 1380/4885
US-20210145701-A1 ADHESIVE COMPOSITION FOR DENTAL USE PTK2, CDH1, ITGA1 LTA4H 621/4885NR5A1 4017/4885CYP2D6 3833/4885

“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.