SCHEMBL104763

SCHEMBL104763

C#CCN(CC#C)CC#C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 2/20 0.40
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL9753489 0.84 CA12 (0.38) PYCR1ALDH1A1CA12CA1CA2
SCHEMBL20364817 0.83 CYP1A2 (0.42) PYCR1
SCHEMBL13837013 0.81 CA12 (0.36) PYCR1ALDH1A1CA12CA1CA2
SCHEMBL17123709 0.78
SCHEMBL8391293 0.78
SCHEMBL3634071 0.78
SCHEMBL11501728 0.78
SCHEMBL169244 0.78
Propane SCHEMBL25297185 0.75 PYCR1 (0.47) PYCR1ALDH1A1
SCHEMBL935039 0.75 PYCR1 (0.38) PYCR1ALDH1A1CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11939336-B2 Aryl triazole cages INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2024-03-26 US claimed
US-11814462-B2 Functionalized cyclic polymers and methods of preparing same UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-11-14 US claimed
US-20230197418-A1 SELECTIVE DEPOSITION ENABLED BY VAPOR PHASE INHIBITOR INTERNATIONAL BUSINESS MACHINES CORPORATION 2023-06-22 US claimed
US-11539077-B2 Electrolyte additives containing one, two, or more triple-bonded moieties for silicon anode-based li-ion batteries ENEVATE CORPORATION (US) 2022-12-27 US claimed
CN-113817299-B PLA-based blended composite material with ion and chemical double-crosslinking structure and preparation method thereof 安徽建筑大学 2022-12-13 CN claimed
CN-113087753-B Pyrene-modified G-four-chain fluorescent probe and preparation method and application thereof 深圳大学 2022-10-18 CN claimed
WO-2022093792-A1 ELECTROLYTE ADDITIVES CONTAINING ONE, TWO, OR MORE TRIPLE-BONDED MOIETIES FOR SILICON ANODE-BASED BATTERIES ENEVATE CORPORATION (US) 2022-05-05 WO claimed
US-20220131195-A1 ELECTROLYTE ADDITIVES CONTAINING ONE, TWO, OR MORE TRIPLE-BONDED MOIETIES FOR SILICON ANODE-BASED LI-ION BATTERIES ENEVATE CORPORATION 2022-04-28 US claimed
US-20220119569-A1 Curable and Solvent Soluble Formulations and Methods of Making and Using Therof POLY6 TECHNOLOGIES, INC. 2022-04-21 US claimed
US-20220056167-A1 Functionalized Cyclic Polymers and Methods of Preparing Same NATIONAL SCIENCE FOUNDATION 2022-02-24 US claimed
EP-0328715-B1 A CATALYST FOR SOL-GEL METHOD USING METAL ALKOXIDE AND SOL-GEL METHOD USING THE SAME Yamamoto, Tohru (JP) 1992-08-05 EP claimed
US-5075350-A Encapsulated by acid hydrolysis of alkoxide, followed by base catalyzed polymerization YAMAMOTO TOHRU (JP) 1991-12-24 US claimed
US-4980392-A Polymer encapsulation YAMAMOTO TOHRU (JP) 1990-12-25 US claimed
US-4937208-A Catalyst for sol-gel method using metal alkoxide and sol-gel method using the same YAMAMOTO TOHRU (JP) 1990-06-26 US claimed
US-4889876-A ORGANOMETALLIC POLYMER, SILANE COUPLER,AND ORGANIC MONOMER YAMAMOTO TOHRU (JP) 1989-12-26 US claimed
US-4880851-A PERFUMES, ENCAPSULATION YAMAMOTO TOHRU (JP) 1989-11-14 US claimed
EP-0328715-A1 A catalyst for sol-gel method using metal alkoxide and sol-gel method using the same Yamamoto, Tohru (JP) 1989-08-23 EP claimed
EP-0287877-A2 A composite substance and a method for the production of the same Yamamoto, Tohru (JP) 1988-10-26 EP claimed
EP-0281034-A2 An aromatic composition and a method for the production of the same Yamamoto, Tohru (JP) 1988-09-07 EP claimed
US-4619861-A COATING PARTICLES WITH ORGANONITROGEN OR ORGANOSULFUR POLYMER TDK CORPORATION (JP) 1986-10-28 US claimed

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-11939336-B2 Aryl triazole cages CAT, SOD1, SOD3 PYCR1 4475/4885ALDH1A1 2562/4885CA12 1276/4885
US-20220131195-A1 ELECTROLYTE ADDITIVES CONTAINING ONE, TWO, OR MORE TRIPLE-BONDED MOIETIES FOR SILICON ANODE-BASED LI-ION BATTERIES SELENOI, SIK1, SIK2 PYCR1 2873/4885ALDH1A1 264/4885CA12 443/4885
US-11539077-B2 Electrolyte additives containing one, two, or more triple-bonded moieties for silicon anode-based li-ion batteries SELENOI, SIK1, SIK2 PYCR1 2873/4885ALDH1A1 264/4885CA12 443/4885

“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.