SCHEMBL1099488

SCHEMBL1099488

C#Cc1ccc([Si](C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.46
KEAP1 Q14145 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PTPN1 P18031 1/20 0.36
CYP2C9 P11712 1/20 0.35
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 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
SCHEMBL16167842 0.84 HDAC8 (0.46) HDAC8KEAP1CA12CA1CA2
SCHEMBL15473033 0.80 HDAC8 (0.42) HDAC8KEAP1CA12CA1CA2
SCHEMBL6226134 0.78 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL6434068 0.77 HDAC8 (0.39) HDAC8KEAP1CA12CA1CA2
SCHEMBL586534 0.76 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL28871 0.76 HDAC8 (0.59) HDAC8KEAP1CA12CA1CA2
SCHEMBL9403781 0.75 HDAC8 (0.38) HDAC8KEAP1CA12CA1CA2
SCHEMBL24354789 0.74 HDAC8 (0.46) HDAC8KEAP1CA12CA1CA2
SCHEMBL1161032 0.74 CYP2A6 (0.52) HDAC8CA12CA1CA2CA9
SCHEMBL7630021 0.74 NR1H2 (0.37) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354511-B Synthesis method of gem-1, 3-eneyne compound 湖南第一师范学院 2022-03-25 CN claimed
CN-113354511-A Synthesis method of gem-1, 3-eneyne compound 湖南第一师范学院 2021-09-07 CN claimed
JP-6175083-A None JP disclosed
CN-118108628-A Benzocycloheptatriene compound and synthesis method thereof 华南理工大学 2024-05-31 CN disclosed
EP-3625218-B1 PROCESS FOR HYDROCYANATION OF TERMINAL ALKYNES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-03-01 EP disclosed
US-20220298185-A1 Nucleoside Prodrugs and Uses Related Thereto UNIV EMORY (US) 2022-09-22 US disclosed
CN-109776253-B Method for selectively synthesizing cis-olefin and trans-olefin by catalyzing semi-reduction of alkyne through palladium hydrogen donor by alcohol 南通大学 2022-07-15 CN disclosed
CN-113354511-B Synthesis method of gem-1, 3-eneyne compound 湖南第一师范学院 2022-03-25 CN disclosed
US-11174389-B2 Phosphole compound NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2021-11-16 US disclosed
CN-113354511-A Synthesis method of gem-1, 3-eneyne compound 湖南第一师范学院 2021-09-07 CN disclosed
US-10947186-B2 Process for hydrocyanation of terminal alkynes STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-03-16 US disclosed
WO-2008076045-A1 NOVEL 2-AMINO- 5-ARYL-IMIDAZOL-4 -ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2007041166-A2 HIGHLY OXYGEN PERMEABLE RIGID CONTACT LENSES FROM POLYACETYLENES THE LAGADO CORPORATION (US) 2007-04-12 WO disclosed
US-20070078245-A1 Highly Oxygen Permeable Rigid Contact Lenses from Polyacetylenes THE LAGADO CORPORATION (US) 2007-04-05 US disclosed
CN-1184200-C Bi-aromatic compounds bond by a heteroethynytene radical and pharmaceutical and comsmetic compositions containing same GALDERMA RES & DEV I (FR) 2005-01-12 CN disclosed
US-6359098-B1 SHELF LIFE AS ONE-COMPONENT ADDITION-CURABLE ORGANOPOLYSILOXANES, AND EXTENDED POT LIFE FOR TWO-COMPONENT ADDITION-CURABLE ORGANOPOLYSILOXANES, WITHOUT COMPROMISING CROSSLINKING RATES OR LEVELS WACKER-CHEMIE GMBH (DE) 2002-03-19 US disclosed
EP-1077226-B1 Curable Polysiloxane Compositions WACKER CHEMIE GMBH (DE) 2002-01-23 EP disclosed
EP-1077226-A1 Curable Polysiloxane Compositions Wacker-Chemie GmbH (DE) 2001-02-21 EP disclosed
CN-1236359-A Bi-aromatic compounds bond by a heteroethynytene radical and pharmaceutical and comsmetic compositions containing same GALDERMA RES & DEV (FR) 1999-11-24 CN disclosed
JP-H06175083-A OPHTHALMIC LENS MATERIAL MENICON CO LTD 1994-06-24 JP 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 (3 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-20220298185-A1 Nucleoside Prodrugs and Uses Related Thereto PNPO, GSTO1, CYP2C18 HDAC8 1237/4885KEAP1 2277/4885CA12 4339/4885
US-11174389-B2 Phosphole compound AR, PHOSPHO1, NR2E3 HDAC8 3302/4885KEAP1 2967/4885CA12 3802/4885
US-10947186-B2 Process for hydrocyanation of terminal alkynes ALKBH3, ALKBH2, ALKBH5 HDAC8 3610/4885KEAP1 2620/4885CA12 1750/4885

“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.