SCHEMBL2063600

SCHEMBL2063600

CCCCc1ccc(Bc2ccc(CCCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.52
▸ CA1 P00915 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ESR1 P03372 2/20 0.48
▸ ADRA2A P08913 2/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ TACR2 P21452 2/20 0.48
▸ SLC6A2 P23975 2/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ SLC6A3 Q01959 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SHBG P04278 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HSPD1 P10809 1/20 0.48
▸ ADRB3 P13945 1/20 0.48

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
SCHEMBL24133345 0.92 HSD11B1 (0.49) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL83869 0.84 CA2 (0.65) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL14273235 0.82 CA2 (0.53) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL10568421 0.82 ALDH1A1 (0.65) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL9839955 0.82 CA2 (0.62) CA2CA1ALDH1A1HSD17B10HPGD
Ammonia Solution, Strong SCHEMBL28990998 0.82 CA2 (0.62) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL10567971 0.79 ALDH1A1 (0.70) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL6682508 0.79 ALDH1A1 (0.70) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL6680875 0.79 CA2 (0.60) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL2464835 0.78 CA2 (0.59) CA2CA1ALDH1A1HSD17B10HPGD

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 CA2 2513/4885CA1 1287/4885ALDH1A1 209/4885
US-20100076157-A1 NOVEL COMPOUND, COMPOSITION COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF POLYMERIZABLE AMIDE H1-0, H1-4, H1-2 CA2 150/4885CA1 25/4885ALDH1A1 1346/4885
US-20230049373-A1 PASTE-LIKE COMPOSITION FOR DENTAL USE, AND METHOD FOR PRODUCING THE SAME PFN1, XRN2, FLNA CA2 2833/4885CA1 2017/4885ALDH1A1 4037/4885
US-20240164993-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME MSL1, ITGA1, ASH2L CA2 686/4885CA1 360/4885ALDH1A1 908/4885
US-20210145701-A1 ADHESIVE COMPOSITION FOR DENTAL USE PTK2, CDH1, ITGA1 CA2 1057/4885CA1 474/4885ALDH1A1 148/4885

“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.

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